October 2009 Archives by thread

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Starting: Thu Oct 1 00:58:24 CEST 2009
Ending: Sat Oct 31 20:42:39 CET 2009
Messages: 880

• [gmx-users] Trjconv trouble   Mark Abraham
• [gmx-users] water molecule cannot be settled   Mark Abraham
  • [gmx-users] water molecule cannot be settled   Itamar Kass
    • [gmx-users] water molecule cannot be settled   Mark Abraham
• [gmx-users] good Atom type in gromacs with the AMBER ff port   ABEL Stephane 175950
  • [gmx-users] good Atom type in gromacs with the AMBER ff port   Mark Abraham
  • [gmx-users] good Atom type in gromacs with the AMBER ff port   Justin A. Lemkul
• R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] Re: g_energy and viscosity   Vitaly V. Chaban
• [gmx-users] solvating a protein-bilayer CG assembly   Francesco Pietra
• [gmx-users] Re: good Atom type in gromacs with the AMBER ff port   Alan
• R: RE: R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
• [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Berk Hess
  • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Jochen Hub
    • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Berk Hess
      • [gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes   Jochen Hub
• [gmx-users] direction_periodic   aherz
  • [gmx-users] direction_periodic   Berk Hess
    • [gmx-users] direction_periodic   aherz
    • [gmx-users] direction_periodic   aherz
      • [gmx-users] direction_periodic   Berk Hess
      • [gmx-users] direction_periodic   Berk Hess
      • [gmx-users] direction_periodic   herz
      • [gmx-users] direction_periodic   Berk Hess
      • [gmx-users] direction_periodic   herz
      • [gmx-users] direction_periodic   Berk Hess
      • [gmx-users] direction_periodic   aherz
      • [gmx-users] direction_periodic   Berk Hess
• [gmx-users] neutralizing membrane protein in lipid bilayer +water   ram bio
• [gmx-users] good Atom type in gromacs with the AMBER ff   Stephane Abel
• [gmx-users] pdb2gmx   Asmaa Elsheshiny
• [gmx-users] pdb2gmx   Asmaa Elsheshiny
  • [gmx-users] pdb2gmx   Kukol, Andreas
  • [gmx-users] pdb2gmx   Justin A. Lemkul
  • [gmx-users] pdb2gmx   sharada
• [gmx-users] g_densmap algorithm of computing of axial distribution function   Djon
• R: RE: R: RE: R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] large VCM(group rest)   Carla Jamous
  • [gmx-users] large VCM(group rest)   Justin A. Lemkul
    • [gmx-users] large VCM(group rest)   Carla Jamous
      • [gmx-users] large VCM(group rest)   Justin A. Lemkul
      • [gmx-users] large VCM(group rest)   Jochen Hub
      • [gmx-users] large VCM(group rest)   Carla Jamous
      • [gmx-users] large VCM(group rest)   Justin A. Lemkul
• R: RE: R: RE: R: RE: R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   Berk Hess
• R: RE: R: RE: R: RE: R: RE: R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   Berk Hess
  • R: RE: R: RE: R: RE: R: RE: R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   Mark Abraham
    • R: RE: R: RE: R: RE: R: RE: R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   Berk Hess
      • R: RE: R: RE: R: RE: R: RE: R: RE: R: Re: R:[gmx-users] Tabulated potential - Problem   Mark Abraham
• [gmx-users] gyrate -p   nicegromacs
• [gmx-users] Scaling problems in 8-cores nodes with GROMACS 4.0x   Daniel Adriano Silva M
  • [gmx-users] Scaling problems in 8-cores nodes with GROMACS 4.0x   Mark Abraham
• [gmx-users] Targeted Molecular Dynamics Simulation   sanjay23 at iitb.ac.in
  • [gmx-users] Targeted Molecular Dynamics Simulation   Christian Seifert
• [gmx-users] No default G96 Bond types error   Kukol, Andreas
• [gmx-users] size dependence of fluctuations   Zuzana Benkova
  • [gmx-users] size dependence of fluctuations   Mark Abraham
• R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] planar geometry: dummy atoms or angle restraints?   Rebeca García Fandiño
• [gmx-users] [Gromacs 3.3.3] tests for parallel - is this reasonable?   Thomas Schlesier
  • [gmx-users] problem in loading xtc in VMD   Paymon Pirzadeh
    • [gmx-users] problem in loading xtc in VMD   Omer Markovitch
  • [gmx-users] [Gromacs 3.3.3] tests for parallel - is this reasonable?   Mark Abraham
• [gmx-users] option for finding forces between two groups   Pradip Biswas
  • [gmx-users] option for finding forces between two groups   Omer Markovitch
  • [gmx-users] option for finding forces between two groups   Mark Abraham
• [gmx-users] R.E.D.-III.3 tools release - q4md-forcefieldtools.org   FyD
• [gmx-users] Making Commands Non-Interactive   ABEL Stephane 175950
  • [gmx-users] Making Commands Non-Interactive   Justin A. Lemkul
    • [gmx-users] Making Commands Non-Interactive   Tsjerk Wassenaar
    • [gmx-users] Making Commands Non-Interactive   Mark Abraham
  • [gmx-users] Making Commands Non-Interactive   Alexander Bujotzek
    • [gmx-users] Making Commands Non-Interactive   Tsjerk Wassenaar
  • [gmx-users] Making Commands Non-Interactive   Omer Markovitch
• [gmx-users] How x2top makes proper and improper dihedrals?   Hu Zhongqiao
• [gmx-users] grompp: no such moleculetype   Francesco Pietra
  • [gmx-users] grompp: no such moleculetype   Justin A. Lemkul
    • [gmx-users] grompp: no such moleculetype   Francesco Pietra
      • [gmx-users] grompp: no such moleculetype   Justin A. Lemkul
      • [gmx-users] grompp: no such moleculetype   Francesco Pietra
      • [gmx-users] grompp: no such moleculetype   Justin A. Lemkul
      • [gmx-users] grompp: no such moleculetype   Francesco Pietra
      • [gmx-users] grompp: no such moleculetype   Justin A. Lemkul
      • [gmx-users] grompp: no such moleculetype   Francesco Pietra
      • [gmx-users] grompp: no such moleculetype   Justin A. Lemkul
      • [gmx-users] grompp: no such moleculetype   Francesco Pietra
      • [gmx-users] grompp: no such moleculetype   Justin A. Lemkul
      • [gmx-users] grompp: no such moleculetype   Francesco Pietra
      • [gmx-users] grompp: no such moleculetype   Justin A. Lemkul
• [gmx-users] error coordinates in .gro donnot match .top   Asmaa Elsheshiny
  • [gmx-users] error coordinates in .gro donnot match .top   Justin A. Lemkul
• [gmx-users] Exclusion and 1-4 interactions with tabulated potential   Johannes Kamp
  • [gmx-users] Exclusion and 1-4 interactions with tabulated potential   Mark Abraham
• [gmx-users] Installation error (gromac4.0.5)   Nkwe Monama
  • [gmx-users] Installation error (gromac4.0.5)   Justin A. Lemkul
    • [gmx-users] Installation error (gromac4.0.5)   Ansgar Esztermann
• [gmx-users] 256 DPPC bilayer   ram bio
  • [gmx-users] 256 DPPC bilayer   Justin A. Lemkul
    • [gmx-users] 256 DPPC bilayer   ram bio
• R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   Mark Abraham
• [gmx-users] Custom Force Field   Honman Yau
  • [gmx-users] Custom Force Field   Justin A. Lemkul
    • [gmx-users] Custom Force Field   Honman Yau
      • [gmx-users] Custom Force Field   Justin A. Lemkul
• [gmx-users] Z-position calculation   Moutusi Manna
  • [gmx-users] Z-position calculation   XAvier Periole
    • [gmx-users] Z-position calculation   TJ Piggot
      • [gmx-users] Z-position calculation   Sarah Witzke
• [gmx-users] Inter- and intra-molecular rdfs   wuxiao
  • [gmx-users] Inter- and intra-molecular rdfs   Mark Abraham
• [gmx-users] S-type Hydrogen bond correlation function   Ramachandran G
  • [gmx-users] S-type Hydrogen bond correlation function   David van der Spoel
    • [gmx-users] S-type Hydrogen bond correlation function   Ramachandran G
      • [gmx-users] S-type Hydrogen bond correlation function   David van der Spoel
      • [gmx-users] S-type Hydrogen bond correlation function   Ramachandran G
      • [gmx-users] S-type Hydrogen bond correlation function   David van der Spoel
      • [gmx-users] S-type Hydrogen bond correlation function   Ramachandran G
      • [gmx-users] S-type Hydrogen bond correlation function   David van der Spoel
• R: Re: R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
• [gmx-users] step 0Segmentation fault   ram bio
  • [gmx-users] step 0Segmentation fault   Justin A. Lemkul
    • [gmx-users] step 0Segmentation fault   ram bio
      • [gmx-users] step 0Segmentation fault   Justin A. Lemkul
      • [gmx-users] step 0Segmentation fault   ram bio
      • [gmx-users] step 0Segmentation fault   Justin A. Lemkul
      • [gmx-users] step 0Segmentation fault   ram bio
      • [gmx-users] step 0Segmentation fault   Justin A. Lemkul
• [gmx-users] Invitation to connect on LinkedIn   Ajani haresh
• [gmx-users] problems with gromacs preprocessor   Asmaa Elsheshiny
  • [gmx-users] problems with gromacs preprocessor   Justin A. Lemkul
• [gmx-users] problems with gromacs preprocessor   Asmaa Elsheshiny
• [gmx-users] problems with gromacs preprocessor   Asmaa Elsheshiny
  • [gmx-users] problems with gromacs preprocessor   Dallas B. Warren
• [gmx-users] Dealing with non-aminoacid residues   Englebienne, P.
  • [gmx-users] Dealing with non-aminoacid residues   Andrea Muntean
  • [gmx-users] Dealing with non-aminoacid residues   Mark Abraham
• [gmx-users] pdb2gmx problem   abhijit kayal
  • [gmx-users] pdb2gmx problem   Justin A. Lemkul
    • [gmx-users] pdb2gmx problem   Tsjerk Wassenaar
• [gmx-users] Snapshot taken under certain condition   Arik Cohen
  • [gmx-users] Snapshot taken under certain condition   Justin A. Lemkul
    • [gmx-users] Snapshot taken under certain condition   Arik Cohen
  • [gmx-users] Snapshot taken under certain condition   Mark Abraham
    • [gmx-users] Snapshot taken under certain condition   Arik Cohen
• [gmx-users] PenG/CepC OPLSAA   abelius
  • [gmx-users] PenG/CepC OPLSAA   Justin A. Lemkul
• [gmx-users] Add new post-processing features in Gromacs   Tandia, Adama
  • [gmx-users] Add new post-processing features in Gromacs   Mark Abraham
• [gmx-users] problem when install gromacs on a node of cluster   Santan William
  • [gmx-users] problem when install gromacs on a node of cluster   Justin A. Lemkul
• [gmx-users] Problem in equilibration for membrane system   Bing Bing
  • [gmx-users] Problem in equilibration for membrane system   Mark Abraham
    • [gmx-users] Problem in equilibration for membrane system   Bing Bing
      • [gmx-users] Problem in equilibration for membrane system   Justin A. Lemkul
      • [gmx-users] Problem in equilibration for membrane system   Itamar Kass
      • [gmx-users] user defined potential function for 1-4 interaction   M Hafizur Rahman
      • [gmx-users] user defined potential function for 1-4 interaction   M Hafizur Rahman
      • [gmx-users] user defined potential function for 1-4 interaction   LuLanyuan
      • [gmx-users] user defined potential function for 1-4 interaction   M Hafizur Rahman
      • [gmx-users] user defined potential function for 1-4 interaction   Berk Hess
      • [gmx-users] user defined potential function for 1-4 interaction   M Hafizur Rahman
• [gmx-users] vsites and lincs-order   Jochen Hub
  • [gmx-users] vsites and lincs-order   Berk Hess
    • [gmx-users] vsites and lincs-order   Jochen Hub
      • [gmx-users] vsites and lincs-order   Berk Hess
      • [gmx-users] vsites and lincs-order   Jochen Hub
• [gmx-users] Distance restraint problem with 4.0.5 version   Alexandre Suman de Araujo
  • [gmx-users] Distance restraint problem with 4.0.5 version   Mark Abraham
    • [gmx-users] Distance restraint problem with 4.0.5 version   Alexandre Suman de Araujo
• [gmx-users] Extended structure for Estrogen receptor   Pradip Biswas
  • [gmx-users] Extended structure for Estrogen receptor   Justin A. Lemkul
    • [gmx-users] Extended structure for Estrogen receptor   Pradip Biswas
  • [gmx-users] Extended structure for Estrogen receptor   Mark Abraham
• [gmx-users] PRODRG   Smith, Chanel Chonda
  • [gmx-users] PRODRG   Justin A. Lemkul
  • [gmx-users] PRODRG   jorge_quintero at ciencias.uis.edu.co
    • [gmx-users] PRODRG   Justin A. Lemkul
      • [gmx-users] PRODRG   Smith, Chanel Chonda
      • [gmx-users] PRODRG   Justin A. Lemkul
• [gmx-users] mailing list search   Sun Joo Lee
  • [gmx-users] mailing list search   Rossen Apostolov
    • [gmx-users] mailing list search   ms
      • [gmx-users] mailing list search   Justin A. Lemkul
      • [gmx-users] mailing list search   ms
      • [gmx-users] mailing list search   Justin A. Lemkul
      • [gmx-users] mailing list search   ms
      • [gmx-users] mailing list search   Justin A. Lemkul
      • [gmx-users] mailing list search   ms
      • [gmx-users] mailing list search   Justin A. Lemkul
      • [gmx-users] mailing list search   ms
      • [gmx-users] mailing list search   Justin A. Lemkul
      • [gmx-users] mailing list search   ms
      • [gmx-users] mailing list search   Rossen Apostolov
      • [gmx-users] mailing list search   ms
• [gmx-users] Problems with FENE potential   Marisa Roman
• [gmx-users] Snapshots in different files   Arik Cohen
  • [gmx-users] Snapshots in different files   Justin A. Lemkul
    • [gmx-users] Snapshots in different files   Arik Cohen
      • [gmx-users] Snapshots in different files   Justin A. Lemkul
      • [gmx-users] Snapshots in different files   Arik Cohen
      • [gmx-users] trjconv to process multiple types of molecules   Yan Gao
      • [gmx-users] trjconv to process multiple types of molecules   TJ Piggot
      • [gmx-users] trjconv to process multiple types of molecules   Justin A. Lemkul
      • [gmx-users] trjconv to process multiple types of molecules   Mark Abraham
      • [gmx-users] Snapshots in different files   Mark Abraham
      • [gmx-users] Snapshots in different files   Arik Cohen
      • [gmx-users] Snapshots in different files   Dallas B. Warren
      • [gmx-users] Snapshots in different files   Arik Cohen
• [gmx-users] g_dipole for spce   Jamie Seyed
• [gmx-users] g_current   Andrew Paluch
  • [gmx-users] g_current   Florian Dommert
• [gmx-users] How does x2top clean dihedrals?   Hu Zhongqiao
• [gmx-users] Optimizing a parallel simulation   vivek sharma
  • [gmx-users] Optimizing a parallel simulation   Mark Abraham
    • [gmx-users] Optimizing a parallel simulation   vivek sharma
      • [gmx-users] Optimizing a parallel simulation   Mark Abraham
• [gmx-users] Load imbalance and Y size error   nikhil damle
  • [gmx-users] Load imbalance and Y size error   Mark Abraham
    • [gmx-users] Load imbalance and Y size error   nikhil damle
      • [gmx-users] Load imbalance and Y size error   Mark Abraham
      • [gmx-users] Load imbalance and Y size error   nikhil damle
      • [gmx-users] Load imbalance and Y size error   nikhil damle
      • [gmx-users] Load imbalance and Y size error   Berk Hess
      • [gmx-users] Load imbalance and Y size error   Mark Abraham
      • [gmx-users] Load imbalance and Y size error   Berk Hess
      • [gmx-users] Load imbalance and Y size error   Dallas B. Warren
• R: Re: R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: Re: R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4   Carsten Kutzner
• R: RE: R: Re: R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: R: Re: R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] LINCS error   Yongchul Chung
  • [gmx-users] LINCS error   Justin A. Lemkul
  • [gmx-users] LINCS error   Jochen Hub
    • [gmx-users] LINCS error   Yongchul Chung
      • [gmx-users] LINCS error   Justin A. Lemkul
• [gmx-users] Re: Re: Re: Re: Re: Re: Re: Re: umbrella potential   Stefan Hoorman
  • [gmx-users] Re: Re: Re: Re: Re: Re: Re: Re: umbrella potential   Justin A. Lemkul
• [gmx-users] Enthapy of vaporization for aromatics   Eudes Fileti
  • [gmx-users] Enthapy of vaporization for aromatics   David van der Spoel
• [gmx-users] Question about "compressibility" in P-coupling and "Berendsen" in T-coupling   Pan Wu
  • [gmx-users] Question about "compressibility" in P-coupling and "Berendsen" in T-coupling   Mark Abraham
• [gmx-users] Problem: Protein move out of box   Pan Wu
  • [gmx-users] Problem: Protein move out of box   Mark Abraham
  • [gmx-users] Problem: Protein move out of box   Amit Choubey
• [gmx-users] increasing the system size   Amit Choubey
  • [gmx-users] increasing the system size   Dallas B. Warren
  • [gmx-users] increasing the system size   Mark Abraham
• [gmx-users] Distance Restraints: Inconsistent Shifts, LINCS Warnings, Number of grid cells is zero, XTC error   João M. Damas
  • [gmx-users] Distance Restraints: Inconsistent Shifts, LINCS Warnings, Number of grid cells is zero, XTC error   Mark Abraham
    • [gmx-users] Distance Restraints: Inconsistent Shifts, LINCS Warnings, Number of grid cells is zero, XTC error   João M. Damas
      • [gmx-users] Distance Restraints: Inconsistent Shifts, LINCS Warnings, Number of grid cells is zero, XTC error   Mark Abraham
• [gmx-users] Why does x2top need to clean dihedrals?   Hu Zhongqiao
  • [gmx-users] Why does x2top need to clean dihedrals?   David van der Spoel
• [gmx-users] rmsf   subarna thakur
  • [gmx-users] Free Energy   b95203004 at ntu.edu.tw
    • [gmx-users] Free Energy   Justin A. Lemkul
  • [gmx-users] rmsf   Justin A. Lemkul
• [gmx-users] Re: Why does x2top need to clean dihedrals?   Hu Zhongqiao
• R: RE: R: RE: R: Re: R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   albitauro at virgilio.it
  • R: RE: R: RE: R: Re: R: RE: R: RE: R: RE: R:[gmx-users] Tabulated potential - Problem   Berk Hess
• [gmx-users] Tips and tricks to make your own coarse-grained model?   ms
  • [gmx-users] Tips and tricks to make your own coarse-grained model?   Justin A. Lemkul
    • [gmx-users] Tips and tricks to make your own coarse-grained model?   ms
      • [gmx-users] Tips and tricks to make your own coarse-grained model?   Justin A. Lemkul
• [gmx-users] g_mindist   Christian Seifert
  • [gmx-users] g_mindist   Berk Hess
• [gmx-users] Hi, I would like to simulate hard sphere with dif...   osmair oliveira
• [gmx-users] Hard sphere simulation   osmair oliveira
• [gmx-users] LINCS error   Justin A. Lemkul
• [gmx-users] LINCS error   Justin A. Lemkul
  • [gmx-users] LINCS error   Yongchul Chung
    • [gmx-users] LINCS error   Justin A. Lemkul
• [gmx-users] creating a larger lipid membrane   Amit Choubey
  • [gmx-users] creating a larger lipid membrane   Justin A. Lemkul
    • [gmx-users] creating a larger lipid membrane   Amit Choubey
      • [gmx-users] creating a larger lipid membrane   Justin A. Lemkul
      • [gmx-users] creating a larger lipid membrane   Amit Choubey
  • [gmx-users] creating a larger lipid membrane   Mark Abraham
    • [gmx-users] creating a larger lipid membrane   Amit Choubey
• [gmx-users] how to calculate the non-bond interaction between solvent and solvent in pure solvent system   Jinyao Wang
  • [gmx-users] how to calculate the non-bond interaction between solvent and solvent in pure solvent system   Justin A. Lemkul
  • [gmx-users] how to calculate the non-bond interaction between solvent and solvent in pure solvent system   XAvier Periole
• [gmx-users] Question about genion, error happens   Pan Wu
  • [gmx-users] Question about genion, error happens   Tsjerk Wassenaar
• [gmx-users] velacc & box of water   Jamie Seyed
  • [gmx-users] velacc & box of water   Mark Abraham
  • [gmx-users] velacc & box of water   Justin A. Lemkul
    • [gmx-users] velacc & box of water   Jamie Seyed
      • [gmx-users] velacc & box of water   Jamie Seyed
      • [gmx-users] velacc & box of water   Justin A. Lemkul
      • [gmx-users] velacc & box of water   Jamie Seyed
      • [gmx-users] velacc & box of water   Justin A. Lemkul
      • [gmx-users] velacc & box of water   Jamie Seyed
      • [gmx-users] velacc & box of water   Justin A. Lemkul
      • [gmx-users] velacc & box of water   Jamie Seyed
      • [gmx-users] velacc & box of water   Justin A. Lemkul
      • [gmx-users] trr file in VMD   Paymon Pirzadeh
      • [gmx-users] trr file in VMD   Amit Choubey
      • [gmx-users] trr file in VMD   Paymon Pirzadeh
      • [gmx-users] trr file in VMD   Justin A. Lemkul
      • [gmx-users] trr file in VMD   Mark Abraham
      • [gmx-users] trr file in VMD   Paymon Pirzadeh
      • [gmx-users] trr file in VMD   Justin A. Lemkul
      • [gmx-users] trr file in VMD   Mark Abraham
• [gmx-users] domain decomposition error   nikhil damle
  • [gmx-users] domain decomposition error   Justin A. Lemkul
    • [gmx-users] domain decomposition error   nikhil damle
      • [gmx-users] domain decomposition error   Justin A. Lemkul
• [gmx-users] pH studies   parthiban at ncbs.res.in
  • [gmx-users] pH studies   Justin A. Lemkul
    • [gmx-users] pH studies   Miguel Machuqueiro
• [gmx-users] velacc & box of water   Justin A. Lemkul
• [gmx-users] Updated topology generation tool available   Justin A. Lemkul
• [gmx-users] Inserting protein in Bilayer   sunny mishra
  • [gmx-users] Inserting protein in Bilayer   Justin A. Lemkul
    • [gmx-users] Inserting protein in Bilayer   sunny mishra
      • [gmx-users] Inserting protein in Bilayer   sunny mishra
      • [gmx-users] Inserting protein in Bilayer   Justin A. Lemkul
      • [gmx-users] Inserting protein in Bilayer   sunny mishra
      • [gmx-users] Inserting protein in Bilayer   Justin A. Lemkul
      • [gmx-users] Inserting protein in Bilayer   Mark Abraham
      • [gmx-users] Inserting protein in Bilayer   Justin A. Lemkul
• [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (Justin A. Lemkul)   Jinyao Wang
  • [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (Justin A. Lemkul)   Justin A. Lemkul
  • [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (Justin A. Lemkul)   Mark Abraham
• [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (XAvier Periole)   Jinyao Wang
  • [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (XAvier Periole)   Justin A. Lemkul
  • [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (XAvier Periole)   Mark Abraham
• [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (Justin A. Lemkul)   Jinyao Wang
  • [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (Justin A. Lemkul)   Justin A. Lemkul
  • [gmx-users] Re:Re: how to calculate the non-bond interaction between solvent and solvent in pure solvent system (Justin A. Lemkul)   Mark Abraham
• [gmx-users] Pressure problem: pressure is too large during MD simulation   Pan Wu
  • [gmx-users] Pressure problem: pressure is too large during MDsimulation   Dallas B. Warren
• [gmx-users] force field Parameters for DPG   Olaniyi Yusuff
  • [gmx-users] force field Parameters for DPG   Mark Abraham
• [gmx-users] mailing list search   seunghwan lee
  • [gmx-users] mailing list search   Rossen Apostolov
    • [gmx-users] mailing list search   Rossen Apostolov
• [gmx-users] the effect of "nexcl" on the result of g_rdf   wuxiao
  • [gmx-users] the effect of "nexcl" on the result of g_rdf   Justin A. Lemkul
  • [gmx-users] the effect of "nexcl" on the result of g_rdf   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 66, Issue 85   Pan Wu
  • [gmx-users] Re: gmx-users Digest, Vol 66, Issue 85   Mark Abraham
• [gmx-users] multi-component membrane simulation   Stanislaw Bobritsky
  • [gmx-users] multi-component membrane simulation   Justin A. Lemkul
• [gmx-users] Chracter buffer size too small   Olaniyi Yusuff
  • [gmx-users] Chracter buffer size too small   Mark Abraham
• [gmx-users] eliminating forces on certain direction   吴鹏
  • [gmx-users] eliminating forces on certain direction   Mark Abraham
    • [gmx-users] eliminating forces on certain direction   吴鹏
      • [gmx-users] eliminating forces on certain direction   Mark Abraham
      • [gmx-users] eliminating forces on certain direction   吴鹏
• [gmx-users] g_hbond and fluor   Alvaro Cortes
  • [gmx-users] g_hbond and fluor   David van der Spoel
    • [gmx-users] g_hbond and fluor   Ran Friedman
• [gmx-users] Advantage of NPT over NVT?   Pan Wu
  • [gmx-users] Advantage of NPT over NVT?   Ran Friedman
    • [gmx-users] Advantage of NPT over NVT?   Tsjerk Wassenaar
  • [gmx-users] Advantage of NPT over NVT?   Mark Abraham
  • [gmx-users] Advantage of NPT over NVT?   Justin A. Lemkul
    • [gmx-users] Advantage of NPT over NVT?   Yongchul Chung
• [gmx-users] protein domain separate   hazizian
  • [gmx-users] protein domain separate   Mark Abraham
• [gmx-users] Opening aminoacids.dat file during grommp   Lum Nforbi
  • [gmx-users] Opening aminoacids.dat file during grommp   Mark Abraham
• [gmx-users] grompp output on terminal   Lum Nforbi
  • [gmx-users] grompp output on terminal   Justin A. Lemkul
• [gmx-users] Is there something wrong with the Gromacs site?   Michael Shirts
  • [gmx-users] Is there something wrong with the Gromacs site?   Yongchul Chung
• [gmx-users] What is best way to get multiple chains?   ms
  • [gmx-users] What is best way to get multiple chains?   Justin A. Lemkul
  • [gmx-users] What is best way to get multiple chains?   Mark Abraham
    • [gmx-users] What is best way to get multiple chains?   ms
      • [gmx-users] What is best way to get multiple chains?   Justin A. Lemkul
      • [gmx-users] What is best way to get multiple chains?   Mark Abraham
      • [gmx-users] What is best way to get multiple chains?   ms
      • [gmx-users] What is best way to get multiple chains?   Justin A. Lemkul
• [gmx-users] Check out my photos on Facebook   Mohit Kumar Panwar
• [gmx-users] RMSF reference state?   Pan Wu
  • [gmx-users] RMSF reference state?   Justin A. Lemkul
• [gmx-users] major issue with gmx-4.0.3?   XAvier Periole
  • [gmx-users] major issue with gmx-4.0.3?   Justin A. Lemkul
    • [gmx-users] major issue with gmx-4.0.3?   XAvier Periole
• [gmx-users] run g_cover in parallel   Itamar Kass
  • [gmx-users] run g_cover in parallel   Mark Abraham
    • [gmx-users] run g_cover in parallel   Itamar Kass
      • [gmx-users] run g_cover in parallel   Mark Abraham
    • [gmx-users] run g_cover in parallel   Tsjerk Wassenaar
      • [gmx-users] run g_cover in parallel   Mark Abraham
• [gmx-users] p0_4238: p4_error: interrupt SIGSEGV: 11   Nilesh Dhumal
  • [gmx-users] p0_4238: p4_error: interrupt SIGSEGV: 11   Mark Abraham
  • [gmx-users] p0_4238: p4_error: interrupt SIGSEGV: 11   Justin A. Lemkul
    • [gmx-users] p0_4238: p4_error: interrupt SIGSEGV: 11   Yongchul Chung
      • [gmx-users] p0_4238: p4_error: interrupt SIGSEGV: 11   Justin A. Lemkul
      • [gmx-users] p0_4238: p4_error: interrupt SIGSEGV: 11   Yongchul Chung
• [gmx-users] Re: Reg: GROMACS Queries   Justin A. Lemkul
• [gmx-users] interpolation for tabulated potential   LuLanyuan
  • [gmx-users] interpolation for tabulated potential   Mark Abraham
    • [gmx-users] interpolation for tabulated potential   LuLanyuan
• [gmx-users] forcefield   lalitha selvam
  • [gmx-users] forcefield   Tsjerk Wassenaar
• [gmx-users] Re: Advantage of NPT over NVT?   Vitaly V. Chaban
  • [gmx-users] Re: Advantage of NPT over NVT?   Mark Abraham
• [gmx-users] unit of eigenfrequency   abhijit kayal
  • [gmx-users] Fwd: unit of eigenfrequency   abhijit kayal
• [gmx-users] Re: Advantage of NPT over NVT?   Vitaly V. Chaban
  • [gmx-users] Re: Advantage of NPT over NVT?   Mark Abraham
• [gmx-users] question about all atoms lipid molecule structure and force field   Amit Choubey
  • [gmx-users] question about all atoms lipid molecule structure and force field   LuLanyuan
    • [gmx-users] question about all atoms lipid molecule structure and force field   Amit Choubey
      • [gmx-users] question about all atoms lipid molecule structure and force field   Justin A. Lemkul
• [gmx-users] RMSF reference state?   Pan Wu
  • [gmx-users] RMSF reference state?   Tsjerk Wassenaar
  • [gmx-users] RMSF reference state?   Justin A. Lemkul
    • [gmx-users] RMSF reference state?   Tsjerk Wassenaar
• [gmx-users] weird tabulated potential problem   LuLanyuan
  • [gmx-users] weird tabulated potential problem   Berk Hess
• [gmx-users] simulation end with Segmentation fault, error message said something about libSystem.B.dylib   Itamar Kass
  • [gmx-users] simulation end with Segmentation fault, error message said something about libSystem.B.dylib   Mark Abraham
    • [gmx-users] simulation end with Segmentation fault, error message said something about libSystem.B.dylib   Itamar Kass
• [gmx-users] Gromacs installation on the cluster   ram bio
  • [gmx-users] Gromacs installation on the cluster   Mark Abraham
• [gmx-users] gmx-users: Running jobs using loadleveler   Nkwe Monama
  • [gmx-users] gmx-users: Running jobs using loadleveler   Mark Abraham
• [gmx-users] Pyroglutamic Acid - Topology (pdb2gmx)   Christian
  • [gmx-users] Pyroglutamic Acid - Topology (pdb2gmx)   Justin A. Lemkul
• [gmx-users] MD simulation in glycerol solvent   haifeng yuan
  • [gmx-users] MD simulation in glycerol solvent   Justin A. Lemkul
• [gmx-users] question about all atoms lipid molecule   Pär Bjelkmar
  • [gmx-users] question about all atoms lipid molecule   Amit Choubey
• [gmx-users] Re: Re: Pyroglutamic Acid - Topology (pdb2gmx)   Christian
  • [gmx-users] Re: Re: Pyroglutamic Acid - Topology (pdb2gmx)   Justin A. Lemkul
    • [gmx-users] Re: Re: Pyroglutamic Acid - Topology (pdb2gmx)   Tsjerk Wassenaar
      • [gmx-users] Re: Re: Pyroglutamic Acid - Topology (pdb2gmx)   Justin A. Lemkul
• [gmx-users] Improper dihedrals on planar rings   Pablo Englebienne
  • [gmx-users] Improper dihedrals on planar rings   Justin A. Lemkul
• [gmx-users] Read .xtc files via perl   rversace at ccny.cuny.edu
  • [gmx-users] Read .xtc files via perl   Mark Abraham
• [gmx-users] g_hbond and hydrogen bonds involving sulfur   Diana Lousa
  • [gmx-users] g_hbond and hydrogen bonds involving sulfur   Justin A. Lemkul
    • [gmx-users] g_hbond and hydrogen bonds involving sulfur   Diana Lousa
      • [gmx-users] g_hbond and hydrogen bonds involving sulfur   Tsjerk Wassenaar
• [gmx-users] Solved - Pyroglutamic Acid - Topology (pdb2gmx)   Christian
• [gmx-users] Freezing Algorithm   Reza Salari
• [gmx-users] LAM OpenMPI conflict?   Francesco Pietra
  • [gmx-users] LAM OpenMPI conflict?   Jussi Lehtola
    • [gmx-users] LAM OpenMPI conflict?   Francesco Pietra
      • [gmx-users] LAM OpenMPI conflict?   Jussi Lehtola
    • [gmx-users] LAM OpenMPI conflict?   Francesco Pietra
• [gmx-users] Large fullerene ball simulations   Jianhui Tian
• [gmx-users] Saving PDB with Ligand from Docking   Nancy
  • [gmx-users] Saving PDB with Ligand from Docking   Justin A. Lemkul
  • [gmx-users] Saving PDB with Ligand from Docking   Mark Abraham
• [gmx-users] a bit strange errors   wuxiao
  • [gmx-users] a bit strange errors   Mark Abraham
    • [gmx-users] a bit strange errors   wuxiao
      • [gmx-users] a bit strange errors   Berk Hess
      • [gmx-users] a bit strange errors   wuxiao
      • [gmx-users] a bit strange errors   Berk Hess
      • [gmx-users] a bit strange errors   wuxiao
      • [gmx-users] a bit strange errors(Solved:Thanks to all)   wuxiao
• [gmx-users] GROMACS scaling at 64 cpus   Mark Abraham
• [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Thomas Schmidt
  • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Omer Markovitch
    • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Thomas Schmidt
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Mark Abraham
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Nicolas Sapay
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Thomas Schmidt
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Justin A. Lemkul
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Mark Abraham
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Nicolas SAPAY
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Baofu Qiao
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Justin A. Lemkul
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Nicolas SAPAY
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Nicolas Sapay
      • [gmx-users] Coarse-Grain: GROMACS bond information to VMD   Mark Abraham
• [gmx-users] Water molecule starting at atom X can not be settled; can't find a solution   Simone Cirri
  • [gmx-users] Water molecule starting at atom X can not be settled; can't find a solution   Justin A. Lemkul
• [gmx-users] Water molecule starting at atom X can not be settled; can't find a solution   Simone Cirri
  • [gmx-users] Water molecule starting at atom X can not be settled; can't find a solution   Justin A. Lemkul
    • [gmx-users] Water molecule starting at atom X can not be settled; can't find a solution   Tsjerk Wassenaar
• [gmx-users] question about all atoms lipid molecule   Pär Bjelkmar
• [gmx-users] Lipid-protein tuturial by Lemkul   seunghwan lee
  • [gmx-users] Lipid-protein tuturial by Lemkul   Justin A. Lemkul
    • [gmx-users] Lipid-protein tutorial by Lemkul   seunghwan lee
      • [gmx-users] profiles az a function of z   Paymon Pirzadeh
      • [gmx-users] profiles az a function of z   Justin A. Lemkul
      • [gmx-users] profiles az a function of z   Paymon Pirzadeh
      • [gmx-users] profiles az a function of z   Mark Abraham
• [gmx-users] Error during NVT equillibration   ram bio
• [gmx-users] Error during NVT equillibration with nvt.log file   ram bio
  • [gmx-users] Error during NVT equillibration with nvt.log file   Justin A. Lemkul
    • [gmx-users] Error during NVT equillibration with nvt.log file   ram bio
      • [gmx-users] Error during NVT equillibration with nvt.log file   Justin A. Lemkul
      • [gmx-users] Error during NVT equillibration with nvt.log file   ram bio
      • [gmx-users] Error during NVT equillibration with nvt.log file   Justin A. Lemkul
      • [gmx-users] Error during NVT equillibration with nvt.log file   ram bio
      • [gmx-users] Error during NVT equillibration with nvt.log file   Justin A. Lemkul
      • [gmx-users] Error during NVT equillibration with nvt.log file   ram bio
      • [gmx-users] Error during NVT equillibration with nvt.log file   Justin A. Lemkul
      • [gmx-users] Error during NVT equillibration with nvt.log file   ram bio
      • [gmx-users] Error during NVT equillibration with nvt.log file   ram bio
      • [gmx-users] Error during NVT equillibration with nvt.log file   Justin A. Lemkul
      • [gmx-users] Error during NVT equillibration with nvt.log file   ram bio
      • [gmx-users] LJ scaling and EnerPress correction   Antonia V.
• [gmx-users] GROMACS scaling at 64 cpus   Berk Hess
• [gmx-users] Example file for DNA   David Crosby
  • [gmx-users] Example file for DNA   Justin A. Lemkul
    • [gmx-users] Example file for DNA   Tsjerk Wassenaar
• [gmx-users] reduced units   lammps lammps
  • [gmx-users] reduced units   Omer Markovitch
• [gmx-users] protein domain separate   hazizian
  • [gmx-users] protein domain separate   David van der Spoel
• [gmx-users] number of opposition ions   leila karami
  • [gmx-users] number of opposition ions   Mark Abraham
• [gmx-users] Is the time scale of the protein domain motion within nano-second?   Chih-Ying Lin
  • [gmx-users] Is the time scale of the protein domain motion within nano-second?   Justin A. Lemkul
• [gmx-users] SD simulation of Ethane and Methane   M Hafizur Rahman
• [gmx-users] only turn off colum pair interactions between bonded atoms   lammps lammps
• [gmx-users] number of opposition ions   leila karami
  • [gmx-users] number of opposition ions   Mark Abraham
• [gmx-users] protein domain separation   hazizian
  • [gmx-users] protein domain separation   Vaclav Horacek
    • [gmx-users] protein domain separation   Justin A. Lemkul
• [gmx-users] protein domain separate   hazizian
  • [gmx-users] protein domain separate   Tsjerk Wassenaar
• [gmx-users] force field   leila karami
• [gmx-users] How to let Gromacs run 60% faster..   Vaclav Horacek
  • [gmx-users] How to let Gromacs run 60% faster..   Mark Abraham
• [gmx-users] force field   leila karami
  • [gmx-users] force field   Justin A. Lemkul
• [gmx-users] NPE simulations: where does all the energy go?   Vasilii Artyukhov
• [gmx-users] Check out my photos on Facebook   Jack Shultz
• [gmx-users] Protein Orientation   sunny mishra
  • [gmx-users] Protein Orientation   Justin A. Lemkul
    • [gmx-users] Protein Orientation   sunny mishra
      • [gmx-users] Protein Orientation   Justin A. Lemkul
      • [gmx-users] Protein Orientation   sunny mishra
• [gmx-users] (no subject)   hazizian
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] Lennard Jones Parameters for Ammonia in ffoplsaa   Darrell Koskinen
  • [gmx-users] Lennard Jones Parameters for Ammonia in ffoplsaa   Mark Abraham
• [gmx-users] force field   Pär Bjelkmar
• [gmx-users] time steps and segmentation fault   albitauro at virgilio.it
  • [gmx-users] time steps and segmentation fault   XAvier Periole
  • [gmx-users] time steps and segmentation fault   Justin A. Lemkul
• [gmx-users] Ligand during GPRC-membrane simulation   Thielges, Sabine
  • [gmx-users] Ligand during GPRC-membrane simulation   Justin A. Lemkul
• [gmx-users] RE: gmx-users Digest, Vol 66, Issue 124   Thielges, Sabine
  • [gmx-users] RE: gmx-users Digest, Vol 66, Issue 124   Justin A. Lemkul
• [gmx-users] top file in coarse-grained   Francesco Pietra
  • [gmx-users] top file in coarse-grained   Justin A. Lemkul
    • [gmx-users] top file in coarse-grained   Francesco Pietra
      • [gmx-users] top file in coarse-grained   Justin A. Lemkul
• [gmx-users] multiple processor running of gromacs-4.0.4   Jianhui Tian
  • [gmx-users] multiple processor running of gromacs-4.0.4   Mark Abraham
• [gmx-users] A fragmented trajectory   Arik Cohen
  • [gmx-users] A fragmented trajectory   Mark Abraham
• [gmx-users] gromacs wall parameters   Amit Choubey
• [gmx-users] [Fwd: Gromacs installation]   Mark Abraham
• [gmx-users] Gromacs version 4.0.5 - ffscan missing   Helen H. Y. Tsui
  • [gmx-users] Gromacs version 4.0.5 - ffscan missing   David van der Spoel
• [gmx-users] Erroneously documented [ settles ] directive   Erik Marklund
  • [gmx-users] Erroneously documented [ settles ] directive   Berk Hess
• [gmx-users] AMBER force fields in gromacs program   leila karami
• [gmx-users] Re: AMBER force fields in gromacs program   Alan
• [gmx-users] how to mimick explicit hydrogen bonding   ms
  • [gmx-users] how to mimick explicit hydrogen bonding   Mark Abraham
    • [gmx-users] how to mimick explicit hydrogen bonding   ms
      • [gmx-users] how to mimick explicit hydrogen bonding   Mark Abraham
      • [gmx-users] how to mimick explicit hydrogen bonding   ms
• [gmx-users] AMBER force fields in gromacs program   leila karami
  • [gmx-users] AMBER force fields in gromacs program   Justin A. Lemkul
• [gmx-users] Normal mode analysis of pure water   simon sangma
  • [gmx-users] Normal mode analysis of pure water   Justin A. Lemkul
    • [gmx-users] non-standard atom names   Stefano Meliga
      • [gmx-users] non-standard atom names   Justin A. Lemkul
  • [gmx-users] Normal mode analysis of pure water   Berk Hess
• [gmx-users] Normal mode analysis of pure water   simon sangma
  • [gmx-users] Normal mode analysis of pure water   Justin A. Lemkul
• [gmx-users] Normal mode analysis of pure water   simon sangma
  • [gmx-users] Normal mode analysis of pure water   Berk Hess
• [gmx-users] Normal mode analysis of pure water   simon sangma
• [gmx-users] Normal mode analysis of pure water   simon sangma
  • [gmx-users] Normal mode analysis of pure water   Justin A. Lemkul
• [gmx-users] CMAP request   Sudip Roy
• [gmx-users] Re: AMBER force fields in gromacs program   Alan
• [gmx-users] multiple processor running of gromacs-4.0.4   Jianhui Tian
• [gmx-users] converting proper dihedrals into ryckaert-bellemans   Carla Jamous
• [gmx-users] Re: 1. Normal mode analysis of pure water (simon sangma)   Gerrit Groenhof
• [gmx-users] Re: converting proper dihedrals into ryckaert-bellemans   Alan
  • [gmx-users] Re: converting proper dihedrals into ryckaert-bellemans   Carla Jamous
    • [gmx-users] Re: converting proper dihedrals into ryckaert-bellemans   Mark Abraham
• [gmx-users] CMAP request   Pär Bjelkmar
• [gmx-users] Chloroform (CHCl3) solvent box for G53a5 force field   Pablo Englebienne
  • [gmx-users] Chloroform (CHCl3) solvent box for G53a5 force field   Justin A. Lemkul
  • [gmx-users] Re: Chloroform (CHCl3) solvent box for G53a5 force field   Pablo Englebienne
    • [gmx-users] Re: Chloroform (CHCl3) solvent box for G53a5 force field   Justin A. Lemkul
• [gmx-users] Long Simulation Time   Chih-Ying Lin
  • [gmx-users] Long Simulation Time   Tsjerk Wassenaar
  • [gmx-users] Long Simulation Time   Justin A. Lemkul
• [gmx-users] Re: Chloroform (CHCl3) solvent box for G53a5 force field   Pablo Englebienne
  • [gmx-users] Re: Chloroform (CHCl3) solvent box for G53a5 force field   Justin A. Lemkul
• [gmx-users] why are the values of the LJ interaction energy negative and the values of the Coulomb interaction energy positive between two group.   Jinyao Wang
  • [gmx-users] why are the values of the LJ interaction energy negative and the values of the Coulomb interaction energy positive between two group.   Mark Abraham
• [gmx-users] Fatal error: 2 particles communicated to PME node 0 are more than a cell length out of the domain decomposition cell of their charge group   wuxiao
  • [gmx-users] Fatal error: 2 particles communicated to PME node 0 are more than a cell length out of the domain decomposition cell of their charge group   Mark Abraham
• [gmx-users] g_rdf and number of atoms to include   Enemark Soeren
  • [gmx-users] g_rdf and number of atoms to include   Omer Markovitch
    • [gmx-users] g_rdf and number of atoms to include   Enemark Soeren
      • [gmx-users] g_rdf and number of atoms to include   Dallas B. Warren
      • [gmx-users] g_rdf and number of atoms to include   Enemark Soeren
      • [gmx-users] g_rdf and number of atoms to include   Mark Abraham
      • [gmx-users] g_rdf and number of atoms to include   Omer Markovitch
      • [gmx-users] g_rdf and number of atoms to include   Enemark Soeren
• [gmx-users] how to calculate g_sdf and ionic conductivity   naimah haron naimah
  • [gmx-users] how to calculate g_sdf and ionic conductivity   Mark Abraham
• [gmx-users] gmx-users:Running gromacs on IBM cluster   Nkwe Monama
  • [gmx-users] gmx-users:Running gromacs on IBM cluster   Mark Abraham
• [gmx-users] Box vector error   Prem Singh Kaushal
  • [gmx-users] Box vector error   Tsjerk Wassenaar
    • [gmx-users] Box vector error   Mark Abraham
• [gmx-users] CMAP request   Sudip Roy
• [gmx-users] Re: how to calculate g_sdf and ionic conductivity   naimah haron naimah
  • [gmx-users] Re: how to calculate g_sdf and ionic conductivity   Tsjerk Wassenaar
• [gmx-users] Re: CMAP request   Sudip Roy
• [gmx-users] mdp file   leila karami
  • [gmx-users] mdp file   Mark Abraham
• [gmx-users] pdb file   leila karami
• [gmx-users] Protein Solvent Dynamics - Coordinates for docking   ram bio
  • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   Mark Abraham
    • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   ram bio
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   Justin A. Lemkul
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   ram bio
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   Justin A. Lemkul
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   ram bio
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   Justin A. Lemkul
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   ram bio
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   Mark Abraham
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   ram bio
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   Mark Abraham
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   ram bio
      • [gmx-users] Protein Solvent Dynamics - Coordinates for docking   Mark Abraham
• [gmx-users] mdp file   leila karami
  • [gmx-users] mdp file   Mark Abraham
• [gmx-users] pdb file   leila karami
  • [gmx-users] pdb file   Justin A. Lemkul
• [gmx-users] energy minimization with position restraint   leila karami
  • [gmx-users] energy minimization with position restraint   Kukol, Andreas
  • [gmx-users] energy minimization with position restraint   Justin A. Lemkul
• [gmx-users] scripts to generate topology CG   Francesco Pietra
  • [gmx-users] scripts to generate topology CG   sunny mishra
    • [gmx-users] scripts to generate topology CG   Francesco Pietra
      • [gmx-users] scripts to generate topology CG   Justin A. Lemkul
      • [gmx-users] scripts to generate topology CG   Francesco Pietra
      • Fwd: [gmx-users] scripts to generate topology CG   Francesco Pietra
      • Fwd: [gmx-users] scripts to generate topology CG   Justin A. Lemkul
      • Fwd: [gmx-users] scripts to generate topology CG   Francesco Pietra
      • Fwd: [gmx-users] scripts to generate topology CG   Justin A. Lemkul
      • [gmx-users] scripts to generate topology CG   Justin A. Lemkul
• [gmx-users] why the force is so large in energy minimization   青 叶
  • [gmx-users] why the force is so large in energy minimization   Mark Abraham
• [gmx-users] alternative means of calculating PMF   Stefan Hoorman
• [gmx-users] alternative means of calculating PMF   chris.neale at utoronto.ca
• [gmx-users] PMF and g_wham   Stefan Hoorman
  • [gmx-users] PMF and g_wham   Stefan Hoorman
• [gmx-users] Extended trajectory   Arik Cohen
  • [gmx-users] Extended trajectory   Justin A. Lemkul
    • [gmx-users] Extended trajectory   Arik Cohen
• [gmx-users] COM removal type angular with PBC?   jennifer johnston
  • [gmx-users] COM removal type angular with PBC?   Mark Abraham
• [gmx-users] Setting up an infinitely hard wall   Amit Choubey
  • [gmx-users] Setting up an infinitely hard wall   Amit Choubey
    • [gmx-users] Setting up an infinitely hard wall   Berk Hess
      • [gmx-users] Setting up an infinitely hard wall   Amit Choubey
      • [gmx-users] Setting up an infinitely hard wall   Berk Hess
      • [gmx-users] Setting up an infinitely hard wall   Amit Choubey
• [gmx-users] RE: No default G96 Bond types error   Kukol, Andreas
  • [gmx-users] RE: No default G96 Bond types error   Mark Abraham
• [gmx-users] time steps and segmentation fault   albitauro at virgilio.it
  • [gmx-users] time steps and segmentation fault   XAvier Periole
• [gmx-users] free energy cycle and couple-intramol setting   Elio Cino
• [gmx-users] converting itp/pdb file to FIELD file   Jamie Seyed
• [gmx-users] Re: COM removal type angular with PBC?   jennifer johnston
• [gmx-users] Diffusion coefficient depenting on time interval   Erik Marklund
  • [gmx-users] Diffusion coefficient depenting on time interval   David van der Spoel
• [gmx-users] gromacs 4.0.4 on BG/P performance   Peicho Pektov
• [gmx-users] POPG-Martini Force Field   S hv
  • [gmx-users] POPG-Martini Force Field   Amit Choubey
    • [gmx-users] POPG-Martini Force Field   XAvier Periole
      • [gmx-users] POPG-Martini Force Field   Amit Choubey
      • [gmx-users] POPG-Martini Force Field   XAvier Periole
• [gmx-users] how to stop duplicate atoms from being deleted   Jennifer Williams
  • [gmx-users] how to stop duplicate atoms from being deleted   Justin A. Lemkul
    • [gmx-users] how to stop duplicate atoms from being deleted   Jennifer Williams
      • [gmx-users] how to stop duplicate atoms from being deleted   Justin A. Lemkul
      • [gmx-users] how to stop duplicate atoms from being deleted   Jennifer Williams
      • [gmx-users] how to stop duplicate atoms from being deleted   Justin A. Lemkul
      • [gmx-users] how to stop duplicate atoms from being deleted   Justin A. Lemkul
      • [gmx-users] how to stop duplicate atoms from being deleted   Jennifer Williams
      • [gmx-users] how to stop duplicate atoms from being deleted   Justin A. Lemkul
• [gmx-users] Re: Chloroform (CHCl3) solvent box for G53a5 force field   Pablo Englebienne
  • [gmx-users] Re: Chloroform (CHCl3) solvent box for G53a5 force field   Justin A. Lemkul
• [gmx-users] how to calculate the vaporation enthalpy of pure small organic compound   Jinyao Wang
  • [gmx-users] how to calculate the vaporation enthalpy of pure small organic compound   Justin A. Lemkul
    • [gmx-users] how to calculate the vaporation enthalpy of pure small organic compound   David van der Spoel
• [gmx-users] Re: Re: how to calculate the vaporation enthalpy of pure small organic compound (Justin A. Lemkul)   Jinyao Wang
• [gmx-users] How can measure the end-yo end distance of a peptide from the .xtc file   haifeng YUAN
  • [gmx-users] How can measure the end-yo end distance of a peptide from the .xtc file   Justin A. Lemkul
• [gmx-users] positional restraint   krishnakumar
  • [gmx-users] positional restraint   Justin A. Lemkul
• [gmx-users] Which membrane result is more reliable?   Kirill Bessonov
  • [gmx-users] Which membrane result is more reliable?   Justin A. Lemkul
• [gmx-users] Re: Re: how to calculate the vaporation enthalpy of pure small organic compound (David van der Spoel)   Jinyao Wang
  • [gmx-users] Re: Re: how to calculate the vaporation enthalpy of pure small organic compound (David van der Spoel)   David van der Spoel
• [gmx-users] Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?   xuji
  • [gmx-users] Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?   Mark Abraham
• [gmx-users] is there any bug in 4.0.5   Nilesh Dhumal
  • [gmx-users] is there any bug in 4.0.5   Justin A. Lemkul
    • [gmx-users] is there any bug in 4.0.5   Mark Abraham
• [gmx-users] Re: Re: Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?   xuji
  • [gmx-users] Re: Re: Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?   Mark Abraham
• [gmx-users] Which membrane result is more reliable?   Kirill Bessonov
  • [gmx-users] Which membrane result is more reliable?   Justin A. Lemkul
  • [gmx-users] Which membrane result is more reliable?   Kirill Bessonov
    • [gmx-users] Which membrane result is more reliable?   Justin A. Lemkul
• [gmx-users] Lennard Jones Parameters for Ammonia in ffoplsaa   Darrell Koskinen
  • [gmx-users] Lennard Jones Parameters for Ammonia in ffoplsaa   Justin A. Lemkul
    • [gmx-users] Lennard Jones Parameters for Ammonia in ffoplsaa   Mark Abraham
• [gmx-users] Creating topology for a small organic molecule   Gunnar Widtfeldt Reginsson
  • [gmx-users] Creating topology for a small organic molecule   Justin A. Lemkul
  • [gmx-users] Creating topology for a small organic molecule   Mark Abraham
• [gmx-users] semiisotropic pressure coupling   Yongchul Chung
  • [gmx-users] semiisotropic pressure coupling   Mark Abraham
    • [gmx-users] semiisotropic pressure coupling   Yongchul Chung
  • [gmx-users] semiisotropic pressure coupling   Justin A. Lemkul
    • [gmx-users] minimization problem   Paymon Pirzadeh
      • [gmx-users] minimization problem   Itamar Kass
      • [gmx-users] minimization problem   Paymon Pirzadeh
      • [gmx-users] minimization problem   Itamar Kass
      • [gmx-users] Re: minimization problem   Justin A. Lemkul
      • [gmx-users] minimization problem   Mark Abraham
    • [gmx-users] semiisotropic pressure coupling   Yongchul Chung
      • [gmx-users] semiisotropic pressure coupling   Justin A. Lemkul
• [gmx-users] Re: Creating topology for a small organic molecule   Vitaly V. Chaban
• [gmx-users] Re: Re: Re: Re: Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?   xuji
  • [gmx-users] Re: Re: Re: Re: Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?   Mark Abraham
• [gmx-users] Bond paths   Carla Jamous
  • [gmx-users] Bond paths   Mark Abraham
• [gmx-users] Re: Which membrane result is more reliable?   Kirill Bessonov
• [gmx-users] CG Mapping section for g_fg2cg   Thomas Schmidt
  • [gmx-users] CG Mapping section for g_fg2cg   XAvier Periole
    • [gmx-users] CG Mapping section for g_fg2cg   Thomas Schmidt
• [gmx-users] Re: Creating topology for a small organic molecule   Alan
• [gmx-users] Parameters for neutral phosho-amino acids   Michael McGovern
  • [gmx-users] Parameters for neutral phosho-amino acids   Justin A. Lemkul
• [gmx-users] Square-Well-Potential   Bobby van Gaard
• [gmx-users] Energy Minimization of DNA   David Crosby
  • [gmx-users] Energy Minimization of DNA   Justin A. Lemkul
• [gmx-users] Re: Chloroform (CHCl3) solvent box for G53a5 force field   Pablo Englebienne
  • [gmx-users] Re: Chloroform (CHCl3) solvent box for G53a5 force field   Justin A. Lemkul
• [gmx-users] Aligning protein in bilayer with editconf   Anirban Ghosh
  • [gmx-users] Aligning protein in bilayer with editconf   Justin A. Lemkul
    • [gmx-users] Aligning protein in bilayer with editconf   sunny mishra
• [gmx-users] .tpr problem   Edilson Beserra
  • [gmx-users] .tpr problem   Justin A. Lemkul
  • [gmx-users] .tpr problem   Mark Abraham
• [gmx-users] Not all bonded interactions have been properly assigned to the domain decomposition cells   Jennifer Williams
  • [gmx-users] Is anyone also using lammps?s   Peng Yi
    • [gmx-users] Is anyone also using lammps?s   Mark Abraham
      • [gmx-users] Is anyone also using lammps?s   Peng Yi
      • [gmx-users] Is anyone also using lammps?s   aherz
      • [gmx-users] Is anyone also using lammps?s   David van der Spoel
      • [gmx-users] Is anyone also using lammps?s   Peng Yi
      • [gmx-users] Is anyone also using lammps?s   Ran Friedman
      • [gmx-users] Is anyone also using lammps?s   Peng Yi
      • [gmx-users] Is anyone also using lammps?s   Ran Friedman
  • [gmx-users] Not all bonded interactions have been properly assigned to the domain decomposition cells   Mark Abraham
• [gmx-users] warning in editconf   leila karami
  • [gmx-users] warning in editconf   Justin A. Lemkul
• [gmx-users] What is the difference between LJ(SR) and LJ(LR)?   Peng Yi
  • [gmx-users] What is the difference between LJ(SR) and LJ(LR)?   Mark Abraham
• [gmx-users] Gromos Parameters for Heme bound Oxygen   Olaniyi Yusuff
  • [gmx-users] Gromos Parameters for Heme bound Oxygen   Justin A. Lemkul
• [gmx-users] Freezing a molecule   Jennifer Williams
  • [gmx-users] Freezing a molecule   ilona.baldus at bioquant.uni-heidelberg.de
  • [gmx-users] Freezing a molecule   Christian Seifert
    • [gmx-users] Freezing a molecule   Mark Abraham
• [gmx-users] nans in g_anaeig   alexander yakovenko
  • [gmx-users] nans in g_anaeig   Tsjerk Wassenaar
• [gmx-users] Re: gmx-users Digest, Vol 66, Issue 174   alexander yakovenko
• [gmx-users] some prolem about genbox genconf and editconf   DreamCatcher
  • [gmx-users] some prolem about genbox genconf and editconf   Mark Abraham
  • [gmx-users] some prolem about genbox genconf and editconf   Dallas B. Warren
    • [gmx-users] some prolem about genbox genconf and editconf   Mark Abraham
• [gmx-users] gmx-users: Error while running Gromacs   Nkwe Monama
  • [gmx-users] gmx-users: Error while running Gromacs   Justin A. Lemkul
• [gmx-users] grompp segfault   Birger Dittrich
  • [gmx-users] grompp segfault   Mark Abraham
• [gmx-users] creat of pdb file   leila karami
  • [gmx-users] creat of pdb file   Justin A. Lemkul
• [gmx-users] em ok, md wrong   Liliya Shamova
  • [gmx-users] em ok, md wrong   Yuri Garmay
    • [gmx-users] em ok, md wrong   Justin A. Lemkul
• [gmx-users] Inflategro for Coarse Grained   sunny mishra
  • [gmx-users] Inflategro for Coarse Grained   Justin A. Lemkul
• [gmx-users] Polarizable models   Vitaly V. Chaban
  • [gmx-users] Polarizable models   David van der Spoel
    • [gmx-users] Polarizable models   Vitaly V. Chaban
      • Fwd: [gmx-users] Polarizable models   Vitaly V. Chaban
      • Fwd: [gmx-users] Polarizable models   David van der Spoel
      • [gmx-users] Polarizable models   Justin A. Lemkul
• [gmx-users] RE: Re: Gromos Parameters for Heme bound Oxygen   olaniyi yusuff
  • [gmx-users] RE: Re: Gromos Parameters for Heme bound Oxygen   Erik Marklund
  • [gmx-users] RE: Re: Gromos Parameters for Heme bound Oxygen   Justin A. Lemkul
• [gmx-users] % of existence of hydrogen bond   Moutusi Manna
  • [gmx-users] % of existence of hydrogen bond   Ran Friedman
  • [gmx-users] % of existence of hydrogen bond   Erik Marklund
• [gmx-users] Adsorption energy of a single molecule   darrellk at ece.ubc.ca
  • [gmx-users] Adsorption energy of a single molecule   Justin A. Lemkul
• [gmx-users] PMF in Gromacs 4   Rebeca García Fandiño
  • [gmx-users] PMF in Gromacs 4   Justin A. Lemkul
    • [gmx-users] PMF in Gromacs 4   Justin A. Lemkul
• [gmx-users] NAN in g_anaeig -proj   alexander yakovenko
  • [gmx-users] NAN in g_anaeig -proj   Tsjerk Wassenaar
• [gmx-users] Re: Inflategro for Coarse Grained   sunny mishra
  • [gmx-users] Re: Inflategro for Coarse Grained   Justin A. Lemkul
• [gmx-users] Re: Inflategro for Coarse Grained   Justin A. Lemkul
  • [gmx-users] Re: Inflategro for Coarse Grained   sunny mishra
    • [gmx-users] Re: Inflategro for Coarse Grained   Justin A. Lemkul
      • [gmx-users] Re: Inflategro for Coarse Grained   sunny mishra
      • [gmx-users] Re: Inflategro for Coarse Grained   Justin A. Lemkul
      • [gmx-users] Re: Inflategro for Coarse Grained   sunny mishra
      • [gmx-users] Re: Inflategro for Coarse Grained   Justin A. Lemkul
      • [gmx-users] Re: Inflategro for Coarse Grained   sunny mishra
      • [gmx-users] Re: Inflategro for Coarse Grained   Justin A. Lemkul
      • [gmx-users] Re: Inflategro for Coarse Grained   sunny mishra
      • [gmx-users] Re: Inflategro for Coarse Grained   Justin A. Lemkul
• [gmx-users] Different temperatures for different groups, even with Nose-Hoover   Michael Lerner
  • [gmx-users] Different temperatures for different groups, even with Nose-Hoover   XAvier Periole
    • [gmx-users] Different temperatures for different groups, even with Nose-Hoover   Michael Lerner
      • [gmx-users] Different temperatures for different groups, even with Nose-Hoover   TJ Piggot
      • [gmx-users] Different temperatures for different groups, even with Nose-Hoover   XAvier Periole
  • [gmx-users] Different temperatures for different groups, even with Nose-Hoover   Justin A. Lemkul
    • [gmx-users] Different temperatures for different groups, even with Nose-Hoover   Michael Lerner
• [gmx-users] MD fatal error :wrong string length 0 for string buf   Yanmei Song
  • [gmx-users] MD fatal error :wrong string length 0 for string buf   David van der Spoel
    • [gmx-users] MD fatal error :wrong string length 0 for string buf   Yanmei Song
      • [gmx-users] MD fatal error :wrong string length 0 for string buf   David van der Spoel
• [gmx-users] bonds that rotated more than 30 degrees:   Yanmei Song
  • [gmx-users] bonds that rotated more than 30 degrees:   Justin A. Lemkul
• [gmx-users] MVAPICH2 mdrun problem for SD and MD, GROMACS 4.0.5   Daniel Adriano Silva M
  • [gmx-users] MVAPICH2 mdrun problem for SD and MD, GROMACS 4.0.5   Mark Abraham
    • [gmx-users] MVAPICH2 mdrun problem for SD and MD, GROMACS 4.0.5   Daniel Adriano Silva M
      • [gmx-users] MVAPICH2 mdrun problem for SD and MD, GROMACS 4.0.5   Mark Abraham
      • [gmx-users] MVAPICH2 mdrun problem for SD and MD, GROMACS 4.0.5   Daniel Adriano Silva M
      • [gmx-users] MVAPICH2 mdrun problem for SD and MD, GROMACS 4.0.5   Mark Abraham
      • [gmx-users] MVAPICH2 mdrun problem for SD and MD, GROMACS 4.0.5   Daniel Adriano Silva M
      • [gmx-users] MVAPICH2 mdrun problem for SD and MD, GROMACS 4.0.5   Mark Abraham
• [gmx-users] Constraints and ligands   P.R.Anand Narayanan
  • [gmx-users] Constraints and ligands   Mark Abraham
• [gmx-users] Number of solvent molecules   P.R.Anand Narayanan
  • [gmx-users] Number of solvent molecules   Mark Abraham
• [gmx-users] Re: Number of solvent molecules   Vitaly V. Chaban
• [gmx-users] Solvating a CG system   Anirban Ghosh
  • [gmx-users] Solvating a CG system   Justin A. Lemkul
• [gmx-users] How to calculate the lifetime of one hydrogen bond   Dechang Li
  • [gmx-users] How to calculate the lifetime of one hydrogen bond   Justin A. Lemkul
• [gmx-users] Shear viscosity   Vitaly V. Chaban
• [gmx-users] Problem with CGMD   Anirban Ghosh
  • [gmx-users] Problem with CGMD   Justin A. Lemkul
    • [gmx-users] Problem with CGMD   Anirban Ghosh
      • [gmx-users] Problem with CGMD   Justin A. Lemkul
      • [gmx-users] Problem with CGMD   XAvier Periole
• [gmx-users] Re: NAN in g_anaeig -proj   alexander yakovenko
  • [gmx-users] Re: NAN in g_anaeig -proj   Tsjerk Wassenaar

Last message date: Sat Oct 31 20:42:39 CET 2009
Archived on: Thu Nov 14 12:07:34 CET 2013

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