June 2008 Archives by thread

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Starting: Sun Jun 1 11:17:57 CEST 2008
Ending: Mon Jun 30 22:39:17 CEST 2008
Messages: 553

• [gmx-users] gromacs with icc and ifort   DimitryASuplatov
  • [gmx-users] gromacs with icc and ifort   David van der Spoel
    • [gmx-users] gromacs with icc and ifort   DimitryASuplatov
• [gmx-users] Green-Cubo relation   David van der Spoel
• [gmx-users] how to make water moleculers disperse uniformly in box and why DMSO moleculers cannot position restrained   wang kelvin
  • [gmx-users] how to make water moleculers disperse uniformly in box and why DMSO moleculers cannot position restrained   Justin A. Lemkul
• [gmx-users] Re: Green-Kubo relation   Vitaly Chaban
• [gmx-users] Bonds in a pdb file   h a
  • [gmx-users] Bonds in a pdb file   David van der Spoel
• [gmx-users] Re: inconsistency in .pdb files   h a
  • [gmx-users] Re: inconsistency in .pdb files   Justin A. Lemkul
• [gmx-users] fix protein (backbone and sidechain) and equil. solvent   t.peter.Mueller at gmx.net
  • [gmx-users] fix protein (backbone and sidechain) and equil. solvent   Justin A. Lemkul
• [gmx-users] error in topology file   hhhh huan
  • [gmx-users] error in topology file   David van der Spoel
    • [gmx-users] error in topology file   hhhh huan
• [gmx-users] gmx-test failed   Sangamesh B
  • [gmx-users] gmx-test failed   David van der Spoel
• [gmx-users] Same values are showing when tried to plot rmsd   minnale
  • [gmx-users] Same values are showing when tried to plot rmsd   Florian Haberl
  • [gmx-users] Same values are showing when tried to plot rmsd   Erik Marklund
• [gmx-users] relaxing proteins gradually - how to set constraints?   Sebastian Kruggel
  • [gmx-users] relaxing proteins gradually - how to set constraints?   Justin A. Lemkul
  • [gmx-users] relaxing proteins gradually - how to set constraints?   Bjoern Windshuegel
    • AW: [gmx-users] relaxing proteins gradually - how to set constraints?   Sebastian Kruggel
      • AW: [gmx-users] relaxing proteins gradually - how to set constraints?   Mark Abraham
• [gmx-users] mutation FE calculation with oplsaa   Maik Goette
• [gmx-users] mutation FE calculation with oplsaa   Maik Goette
  • [gmx-users] mutation FE calculation with oplsaa   friendli
• [gmx-users] Same values are showing when tried to plot rmsd   minnale
  • [gmx-users] Same values are showing when tried to plot rmsd   Justin A. Lemkul
    • [gmx-users] Same values are showing when tried to plot rmsd   Erik Marklund
• [gmx-users] Same values are showing when tried to plot rmsd   minnale
• [gmx-users] QM/MM   Ramon Crehuet
• [gmx-users] Re: PARADOCS   Bjoern Olausson
• [gmx-users] problem to execute the parallelized CPMD in Gromacs/CPMD interface   Yun-an Yan
  • [gmx-users] problem to execute the parallelized CPMD in Gromacs/CPMD interface   Christian Seifert
• [gmx-users] gmxcheck (warning or error, I don't know...)   Alberto Sergio Garay
• [gmx-users] neighborsearching in semiisotropic systems   Till Rudack
  • [gmx-users] neighborsearching in semiisotropic systems   Justin A. Lemkul
    • [gmx-users] neighborsearching in semiisotropic systems   Till Rudack
      • [gmx-users] neighborsearching in semiisotropic systems   Justin A. Lemkul
      • [gmx-users] neighborsearching in semiisotropic systems   Till Rudack
      • [gmx-users] neighborsearching in semiisotropic systems   Hannes Loeffler
  • [gmx-users] neighborsearching in semiisotropic systems   Berk Hess
    • [gmx-users] neighborsearching in semiisotropic systems   Till Rudack
      • [gmx-users] neighborsearching in semiisotropic systems   Berk Hess
• [gmx-users] problem to execute the parallelized CPMD in Gromacs/CPMD interface   Yun-an Yan
• [gmx-users] microtubles   shenle at sjtu.edu.cn
  • [gmx-users] microtubles   David van der Spoel
• [gmx-users] Re: QM/MM (Ramon Crehuet)   ggroenh
• [gmx-users] cumulative velocity correlation   Collins Nganou
  • [gmx-users] cumulative velocity correlation   David van der Spoel
• [gmx-users] Script: Loading .ndx files into PyMol   weixin
• [gmx-users] Re: LINCS warning:relative constraint deviation after LINCS:   Justin A. Lemkul
• [gmx-users] Crashing NPT run, 1.5 ns   JMandumpal
  • [gmx-users] Crashing NPT run, 1.5 ns   Mark Abraham
• [gmx-users] Rte: I can't understand gmxcheck output "don't match ..."   Alberto Sergio Garay
  • [gmx-users] Rte: I can't understand gmxcheck output "don't match ..."   Justin A. Lemkul
    • [gmx-users] Rte: I can't understand gmxcheck output "don't match ..."   Berk Hess
• [gmx-users] berger-oplsaa combination for DPC micelle   Low Soo Mei
• [gmx-users] Analyse of velocity autocorrelation function plot by xmgrace   Collins Nganou
• [gmx-users] Number of water molecules   Marcelo Fabricio Masman
  • [gmx-users] Number of water molecules   Erik Marklund
• [gmx-users] Arguments to g_rdf   Andreas Kring
  • [gmx-users] Arguments to g_rdf   Justin Lemkul
    • [gmx-users] Arguments to g_rdf [SOLVED]   Andreas Kring
• [gmx-users] berger-oplsaa combination for DPC micelle   chris.neale at utoronto.ca
• [gmx-users] Understanding of OPLS-all atomic FF   minnale
  • [gmx-users] Understanding of OPLS-all atomic FF   Justin A. Lemkul
• [gmx-users] Understanding of OPLS-all atomic FF   minnale
• [gmx-users] Re: berger-oplsaa combination for DPC micelle   Low Soo Mei
• [gmx-users] run parallel   ha salem
  • [gmx-users] run parallel   Mark Abraham
  • [gmx-users] run parallel   Carsten Kutzner
• [gmx-users] g_sas and vdwradii.dat   Paul Whitford
• [gmx-users] Calculating electric field vector at snapshots   Aaron Fafarman
  • [gmx-users] Calculating electric field vector at snapshots   David van der Spoel
• [gmx-users] protein molecule fragmenting after addition of counter ions   jayant james
  • [gmx-users] protein molecule fragmenting after addition of counter ions   Mark Abraham
• [gmx-users] run parallel   ha salem
  • [gmx-users] run parallel   Carsten Kutzner
  • [gmx-users] run parallel   Mark Abraham
• [gmx-users] Possible issues with CVS pull code 200800508   Bjørn Steen Sæthre
  • FW: [gmx-users] Possible issues with CVS pull code 200800508   Berk Hess
• [gmx-users] Local pressure profiles   Philip Shushkov
  • [gmx-users] Local pressure profiles   David van der Spoel
    • [gmx-users] Local pressure profiles   Philip Shushkov
• [gmx-users] Enthalpy and entropy of binding from thermodynamic integration   Robert Johnson
  • [gmx-users] Enthalpy and entropy of binding from thermodynamic integration   Berk Hess
  • [gmx-users] Enthalpy and entropy of binding from thermodynamic integration   David Mobley
• [gmx-users] Re: berger-oplsaa combination for DPC micelle   Low Soo Mei
• [gmx-users] berger-oplsaa combination for DPC micelle   chris.neale at utoronto.ca
• [gmx-users] REMD problems   Diego Nolasco
  • [gmx-users] REMD problems   Marcus Kubitzki
    • [gmx-users] REMD problems   Diego Nolasco
  • [gmx-users] REMD problems   Berk Hess
• [gmx-users] calculating ionic strength   jayant james
  • [gmx-users] calculating ionic strength   Justin A. Lemkul
  • [gmx-users] calculating ionic strength   Mark Abraham
    • [gmx-users] calculating ionic strength   Miguel Machuqueiro
      • [gmx-users] calculating ionic strength   Tsjerk Wassenaar
• [gmx-users] RE: gmx-users Digest, Vol 50, Issue 17   Andrij
• [gmx-users] unsolved topology problems.   hhhh huan
  • [gmx-users] unsolved topology problems.   Mark Abraham
• [gmx-users] unsolved topology problems.   hhhh huan
• [gmx-users] what's the pdb file format containing five peptides?   那美荣
  • [gmx-users] what's the pdb file format containing five peptides?   David van der Spoel
• [gmx-users] Re: berger-oplsaa combination for DPC micelle   Low Soo Mei
• [gmx-users] problem about g_sas of POPC bilayer   minnale
  • [gmx-users] problem about g_sas of POPC bilayer   David van der Spoel
• [gmx-users] Re: Re: problem about g_sas of POPC bilayer   minnale
  • [gmx-users] Re: Re: problem about g_sas of POPC bilayer   David van der Spoel
• [gmx-users] rigid linear molecules   Vitaly Chaban
• [gmx-users] Tee-rex compilation error   Ramon Crehuet
  • [gmx-users] Tee-rex compilation error   Justin A. Lemkul
  • [gmx-users] Tee-rex compilation error   Marcus Kubitzki
  • [gmx-users] Tee-rex compilation error   Marcus Kubitzki
• [gmx-users] 64 bit compiling on OS X   David van der Spoel
• [gmx-users] bicelle modeling   ANINDITA GAYEN
• [gmx-users] multiple MD runs within ONE MD script   Sebastian Stolzenberg
  • [gmx-users] multiple MD runs within ONE MD script   David van der Spoel
    • [gmx-users] multiple MD runs within ONE MD script   Sebastian Stolzenberg
      • [gmx-users] multiple MD runs within ONE MD script   Mark Abraham
• [gmx-users] g_sas Vdwradii.dat   maite lopez cabezas
  • [gmx-users] g_sas Vdwradii.dat   Xavier Periole
    • [gmx-users] g_sas Vdwradii.dat   Xavier Periole
      • [gmx-users] g_sas Vdwradii.dat   David van der Spoel
      • [gmx-users] Vdwradii.dat uses (was Re: g_sas Vdwradii.dat)   Allen Smith
      • [gmx-users] g_sas Vdwradii.dat   maite lopez cabezas
      • [gmx-users] g_sas Vdwradii.dat   David van der Spoel
• [gmx-users] get structures   shahrbanoo karbalaee
  • [gmx-users] get structures   David van der Spoel
• [gmx-users] Time evolution of lipidbilayer   minnale
  • [gmx-users] Time evolution of lipidbilayer   Justin A. Lemkul
• [gmx-users] extract conformations !!   Anamika Awasthi
  • [gmx-users] extract conformations !!   Justin A. Lemkul
  • [gmx-users] extract conformations !!   Florian Haberl
  • [gmx-users] extract conformations !!   Mark Abraham
• [gmx-users] Re:Time evolution of lipidbilayer   minnale
  • [gmx-users] Re:Time evolution of lipidbilayer   Justin A. Lemkul
• [gmx-users] Re:Time evolution of lipidbilayer   minnale
• [gmx-users] analysis of different groups with g_energy   Peyman Yamin
  • [gmx-users] analysis of different groups with g_energy   Justin A. Lemkul
    • [gmx-users] analysis of different groups with g_energy   Peyman Yamin
      • [gmx-users] analysis of different groups with g_energy   Mark Abraham
      • [gmx-users] analysis of different groups with g_energy   Peyman Yamin
      • [gmx-users] analysis of different groups with g_energy   Mark Abraham
      • [gmx-users] analysis of different groups with g_energy   Peyman Yamin
      • [gmx-users] analysis of different groups with g_energy   Mark Abraham
      • [gmx-users] analysis of different groups with g_energy   Peyman Yamin
      • [gmx-users] analysis of different groups with g_energy   Mark Abraham
      • [gmx-users] analysis of different groups with g_energy   Peyman Yamin
• [gmx-users] TEE-REX installation error   TJ Piggot
  • [gmx-users] TEE-REX installation error   Mark Abraham
    • [gmx-users] TEE-REX installation error   TJ Piggot
• [gmx-users] how to distancing the counter ions from the protein?   jayant james
  • [gmx-users] how to distancing the counter ions from the protein?   Mark Abraham
    • [gmx-users] how to distancing the counter ions from the protein?   jayant james
      • [gmx-users] how to distancing the counter ions from the protein?   Justin A. Lemkul
• [gmx-users] still problems with dodecahedron box and editconf   Sebastian Kruggel
  • [gmx-users] still problems with dodecahedron box and editconf   Jochen Hub
• [gmx-users] Possible issues with CVS pull code 200800508   Bjørn Steen Sæthre
  • [gmx-users] Possible issues with CVS pull code 200800508   Bjørn Steen Sæthre
• [gmx-users] secondary structure   s lal badshah
  • [gmx-users] secondary structure   Peyman Yamin
  • [gmx-users] secondary structure   Justin A. Lemkul
  • [gmx-users] secondary structure   Mark Abraham
• [gmx-users] genconf problem   ANINDITA GAYEN
  • [gmx-users] genconf problem   Mark Abraham
• [gmx-users] g_density problem segmentation fault glibc detected   himanshu khandelia
  • [gmx-users] g_density problem segmentation fault glibc detected   Peyman Yamin
    • [gmx-users] g_density problem segmentation fault glibc detected   maria goranovic
• [gmx-users] simulating Ubiquitinated protein   AJIT DATTA
  • [gmx-users] simulating Ubiquitinated protein   David van der Spoel
• [gmx-users] Nitrogen Flow over cylinder   Andy Shelley
  • [gmx-users] Nitrogen Flow over cylinder   David van der Spoel
• [gmx-users] Simulating Protein+Dextran/PEG   Vigneshwar Ramakrishnan
  • [gmx-users] Simulating Protein+Dextran/PEG   Justin A. Lemkul
• [gmx-users] 2D projection and corresponding conformation   xi zhao
  • [gmx-users] 2D projection and corresponding conformation   Mark Abraham
    • 回复： Re: [gmx-users] 2D projection and corresponding conformation   xi zhao
      • 回复： Re: [gmx-users] 2D projection and corresponding conformation   Mark Abraham
      • 回复： Re: 回复： Re: [gmx-users] 2D projection and corresponding conformation   xi zhao
      • Re: 回复： Re: 回复： Re: [gmx-users] 2D projection and corresponding conformation   Tsjerk Wassenaar
• [gmx-users] Seperation of specific trajectory from whole trajectory file.   minnale
  • [gmx-users] Seperation of specific trajectory from whole trajectory file.   Mark Abraham
• [gmx-users] system contains proteins and DNAs with ffamber99   Dechang Li
  • [gmx-users] system contains proteins and DNAs with ffamber99   Vigneshwar Ramakrishnan
  • [gmx-users] system contains proteins and DNAs with ffamber99   Mark Abraham
    • [gmx-users] system contains proteins and DNAs with ffamber99   Balazs Jojart
• [gmx-users] Re: still problems with dodecahedron box and editconf   Sebastian Kruggel
• [gmx-users] system contains proteins and DNAs with ffamber99   servaas michielssens
• [gmx-users] Charmm_gromacs   Velia Minicozzi
  • [gmx-users] Charmm_gromacs   Velia Minicozzi
• [gmx-users] pbc-replica exchange-trjconv   servaas michielssens
  • [gmx-users] pbc-replica exchange-trjconv   Justin A. Lemkul
  • [gmx-users] pbc-replica exchange-trjconv   Tsjerk Wassenaar
    • [gmx-users] molecule broken   Nguyen Hoang Phuong
      • [gmx-users] molecule broken   Justin A. Lemkul
• [gmx-users] ngmx,dssp not working   sharada
• [gmx-users] Ca2+ forcefield and Temp-coupling   tuhin at iitk.ac.in
  • [gmx-users] Ca2+ forcefield and Temp-coupling   Ran Friedman
  • [gmx-users] Ca2+ forcefield and Temp-coupling   Mark Abraham
    • [gmx-users] Define: Energy groups   tuhin at iitk.ac.in
      • [gmx-users] Define: Energy groups   Tsjerk Wassenaar
      • [gmx-users] Define: Energy groups   tuhin at iitk.ac.in
      • [gmx-users] Define: Energy groups   Xavier Periole
• [gmx-users] how to simulate liquid-vapor interface of a solution at a low pressure   beibei
  • [gmx-users] how to simulate liquid-vapor interface of a solution at a low pressure   Mark Abraham
• [gmx-users] fatal error in minimization   Anamika Awasthi
  • [gmx-users] fatal error in minimization   Mark Abraham
• [gmx-users] ngmx,dssp not working   sharada
  • [gmx-users] ngmx,dssp not working   Mark Abraham
  • [gmx-users] ngmx,dssp not working   Nizamov Shawkat
• [gmx-users] Re: pbc-replica exchange-trjconv   servaas michielssens
  • [gmx-users] Re: pbc-replica exchange-trjconv   Tsjerk Wassenaar
  • [gmx-users] changing mass in free energy calculation   friendli
• [gmx-users] Ca2+ forcefield and Temp-coupling   tuhin at iitk.ac.in
• [gmx-users] sd simulations   Ran Friedman
  • [gmx-users] sd simulations   Mark Abraham
• [gmx-users] bicelle gromacs MD simulation CG model?   ANINDITA GAYEN
  • [gmx-users] bicelle gromacs MD simulation CG model?   Mark Abraham
• Subject: Re: [gmx-users] simulating Ubiquitinated protein   AJIT DATTA
  • Subject: Re: [gmx-users] simulating Ubiquitinated protein   Mark Abraham
• [gmx-users] [Fwd: some questions about simulate a liquid-vapor interface of a solution, many thanks]   Mark Abraham
  • [gmx-users] [Fwd: some questions about simulate a liquid-vapor interface of a solution, many thanks]   Mark Abraham
  • [gmx-users] [Fwd: some questions about simulate a liquid-vapor interface of a solution, many thanks]   Yang Ye
• [gmx-users] (no subject)   ANINDITA GAYEN
  • [gmx-users] changing mass in free energy calculation   friendli
• [gmx-users] bicelle gromacs MD simulation CG model?   ANINDITA GAYEN
  • [gmx-users] bicelle gromacs MD simulation CG model?   Justin A. Lemkul
• [gmx-users] mass changes in free energy calculations   friendli
  • [gmx-users] mass changes in free energy calculations   David Mobley
    • [gmx-users] mass changes in free energy calculations   Qiang Li
• Fw: Re: [gmx-users] bicelle gromacs MD simulation CG model?   ANINDITA GAYEN
• [gmx-users] bicelle gromacs MD simulation CG model?   Justin A. Lemkul
• [gmx-users] bicelle gromacs MD simulation CG model?   Justin A. Lemkul
  • [gmx-users] bicelle gromacs MD simulation CG model?   ANINDITA GAYEN
    • [gmx-users] bicelle gromacs MD simulation CG model?   Justin A. Lemkul
      • [gmx-users] bicelle gromacs MD simulation CG model?   Peyman Yamin
• [gmx-users] pbc-replica exchange-trjconv   servaas michielssens
• [gmx-users] trjcat -demux   servaas michielssens
• [gmx-users] cholesterol in OPLS-BERGER   ANINDITA GAYEN
• [gmx-users] pressure coupling for self-assembly of bilayer   LeeHwan-kyu
• [gmx-users] Re:the vapor-liquid interface of a solution at low pressure   beibei
  • [gmx-users] Re:the vapor-liquid interface of a solution at low pressure   Mark Abraham
• [gmx-users] basic units: acceleration conflict   CIHAN NADIR KAPLAN
• [gmx-users] basic units: acceleration conflict (revision)   CIHAN NADIR KAPLAN
  • [gmx-users] basic units: acceleration conflict (revision)   David van der Spoel
• [gmx-users] unable to run md after installing another gromacs 3.3.3 after 3.3.2   Ross KK Leung
  • [gmx-users] unable to run md after installing another gromacs 3.3.3 after 3.3.2   Mark Abraham
• [gmx-users] Understanding the concept of area per lipid calculation   minnale
  • [gmx-users] Understanding the concept of area per lipid calculation   Jojart Balazs
  • [gmx-users] Understanding the concept of area per lipid calculation   Mark Abraham
• [gmx-users] basic units: acceleration conflict (revision)   CIHAN NADIR KAPLAN
  • [gmx-users] basic units: acceleration conflict (revision)   Tsjerk Wassenaar
  • [gmx-users] basic units: acceleration conflict (revision)   Nizamov Shawkat
• [gmx-users] RE:RE: bicelle modeling using CG MODEL   ANINDITA GAYEN
  • [gmx-users] RE:RE: bicelle modeling using CG MODEL   Mark Abraham
• [gmx-users] g_msd vs g_velacc   Vitaly Chaban
  • [gmx-users] g_msd vs g_velacc   Xavier Periole
    • [gmx-users] Re[2]: g_msd vs g_velacc   Vitaly Chaban
      • [gmx-users] Re[2]: g_msd vs g_velacc   Xavier Periole
• [gmx-users] Understanding the concept of area per lipid calculation   minnale
• [gmx-users] Specified frame doesn't exist or file not seekable   sudheer babu
  • [gmx-users] Specified frame doesn't exist or file not seekable   Mark Abraham
• [gmx-users] Re:: Specified frame doesn't exist or file not seekable   sudheer babu
  • [gmx-users] Re:: Specified frame doesn't exist or file not seekable   Florian Haberl
  • [gmx-users] Re:: Specified frame doesn't exist or file not seekable   Mark Abraham
• [gmx-users] Re[3]: g_msd vs g_velacc   Vitaly Chaban
• [gmx-users] mpirun problem   ha salem
  • [gmx-users] mpirun problem   Carsten Kutzner
• [gmx-users] Frames problem   s lal badshah
  • [gmx-users] Frames problem   Mark Abraham
• [gmx-users] forward and reverse free energy not consistant   Li Qiang
  • [gmx-users] forward and reverse free energy not consistant   Jochen Hub
• [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang)   Gerrit Groenhof
  • [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang)   friendli
    • [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang)   Justin A. Lemkul
      • [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang)   liqiang
• [gmx-users] Re[4]: g_msd vs g_velacc. [SOLVED]   Vitaly Chaban
  • [gmx-users] Re[4]: g_msd vs g_velacc. [SOLVED]   Florian Dommert
    • [gmx-users] Re[4]: g_msd vs g_velacc. [SOLVED]   Florian Dommert
• [gmx-users] mpirun problem   Carsten Kutzner
• [gmx-users] CHARMM to Gromacs   Alessandro.Maiorana at roma2.infn.it
  • [gmx-users] CHARMM to Gromacs   Justin A. Lemkul
    • [gmx-users] CHARMM to Gromacs   Alessandro.Maiorana at roma2.infn.it
      • [gmx-users] CHARMM to Gromacs   Nicolas Sapay
• [gmx-users] gromos parameterisation in OPLS   ANINDITA GAYEN
  • [gmx-users] gromos parameterisation in OPLS   Justin A. Lemkul
    • [gmx-users] gromos parameterisation in OPLS   ANINDITA GAYEN
      • [gmx-users] gromos parameterisation in OPLS   Justin A. Lemkul
      • [gmx-users] gromos parameterisation in OPLS   ANINDITA GAYEN
      • [gmx-users] gromos parameterisation in OPLS   Xavier Periole
      • [gmx-users] gromos parameterisation in OPLS   Marc F. Lensink
      • [gmx-users] gromos parameterisation in OPLS   Justin A. Lemkul
• [gmx-users] PRODRG2 to OPLS for a new molecule   ANINDITA GAYEN
• [gmx-users] PRODRG2 to OPLS for a new molecule   ANINDITA GAYEN
• [gmx-users] PRODRG2 to OPLS for a New Molecule   ANINDITA GAYEN
• [gmx-users] changing particle vdw radius   jtomlins at purdue.edu
• [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang)   Diana Lousa
  • [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang)   Justin A. Lemkul
    • [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang)   David Mobley
• [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) (Diana Lousa)   ggroenh
  • [gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) (Diana Lousa)   Li Qiang
• [gmx-users] basic units: acceleration conflict (revision)   CIHAN NADIR KAPLAN
• [gmx-users] Position Constraint   Jae Hyun Park
  • [gmx-users] Position Constraint   Mark Abraham
  • [gmx-users] Position Constraint   Jochen Hub
• [gmx-users] To obtain a pdb file   hhhh huan
  • [gmx-users] To obtain a pdb file   Miguel Ortiz-Lombardía
  • [gmx-users] To obtain a pdb file   Mark Abraham
• [gmx-users] regarding trjconv   Anamika Awasthi
  • [gmx-users] regarding trjconv   Mark Abraham
• [gmx-users] Re[5]: g_msd vs g_velacc. [SOLVED]   Vitaly Chaban
• [gmx-users] regarding rmsd !!   Anamika Awasthi
  • [gmx-users] regarding rmsd !!   Per Larsson
  • [gmx-users] regarding rmsd !!   Jochen Hub
    • [gmx-users] regarding rmsd !!   Mark Abraham
• [gmx-users] RMSD graph   Anamika Awasthi
  • [gmx-users] RMSD graph   Mark Abraham
  • [Bulk] [gmx-users] RMSD graph   Yang Ye
    • [Bulk] [gmx-users] RMSD graph   Diego Enry
• [gmx-users] Problem to save xtc file in single precision in 2 fs intervals   Alberto Sergio Garay
  • [gmx-users] Problem to save xtc file in single precision in 2 fs intervals   Xavier Periole
    • [gmx-users] Problem to save xtc file in single precision in 2 fs intervals   Berk Hess
• [gmx-users] g_dist   shahrbanoo karbalaee
  • [gmx-users] g_dist   Justin A. Lemkul
• [gmx-users] problem with new sugar residue   cesteban at unsl.edu.ar
  • [gmx-users] problem with new sugar residue   Tsjerk Wassenaar
    • [gmx-users] problem with new sugar residue   cesteban at unsl.edu.ar
      • [gmx-users] problem with new sugar residue   Tsjerk Wassenaar
  • [gmx-users] problem with new sugar residue   Justin A. Lemkul
• [gmx-users] charge in genbox   Serena Leone
  • [gmx-users] charge in genbox   Justin A. Lemkul
• [gmx-users] Tersoff Brenner Potential in GMX   jake wernik
• [gmx-users] genion   shahrbanoo karbalaee
  • [gmx-users] genion   Tsjerk Wassenaar
• [gmx-users] FFTW & Gromacs installation woes on AIX 5.3   Senthil Kumar M
  • [gmx-users] FFTW & Gromacs installation woes on AIX 5.3   Mark Abraham
    • [gmx-users] FFTW & Gromacs installation woes on AIX 5.3   Senthil Kumar M
      • [gmx-users] FFTW & Gromacs installation woes on AIX 5.3   Mark Abraham
• [gmx-users] Re: g_mdmat   Art Poon
• [gmx-users] Carbon Nanotube Residue   jolander at rci.rutgers.edu
  • [gmx-users] Carbon Nanotube Residue   Justin A. Lemkul
    • [gmx-users] Carbon Nanotube Residue   Mark Abraham
• [gmx-users] Carbon Nanotube Residue   Vitaly Chaban
• [gmx-users] modelling a new molecule in OPLS   ANINDITA GAYEN
  • [gmx-users] modelling a new molecule in OPLS   Justin A. Lemkul
• [gmx-users] RE: modelling a new molecule in OPLS   Vitaly Chaban
  • [gmx-users] RE: modelling a new molecule in OPLS   Tsjerk Wassenaar
• [gmx-users] topology for c-alpha protein model   Lillian Chong
  • [gmx-users] topology for c-alpha protein model   Diego Nolasco
• [gmx-users] MPICH2 and parallel Gromacs errors   Casey,Richard
  • [gmx-users] MPICH2 and parallel Gromacs errors   Art Poon
  • [gmx-users] MPICH2 and parallel Gromacs errors   Dr. Bernd Rupp
• [gmx-users] msd vs. time plot for molecules   Michael Skaug
• [gmx-users] RE: msd vs. time plot for molecules   Vitaly Chaban
• [gmx-users] mdp files   jolander at rci.rutgers.edu
  • [gmx-users] mdp files   Justin A. Lemkul
• [gmx-users] Low CPU usage multicore   ha salem
  • [gmx-users] Low CPU usage multicore   Justin A. Lemkul
    • [gmx-users] Low CPU usage multicore   Mark Abraham
• [gmx-users] [Fwd: Installation Doubt]   Mark Abraham
• [gmx-users] RE: mdp files   Vitaly Chaban
  • [gmx-users] RE: mdp files   Tsjerk Wassenaar
    • [gmx-users] RE: mdp files   jolander at rci.rutgers.edu
      • [gmx-users] RE: mdp files   Justin A. Lemkul
      • [gmx-users] RE: mdp files   Mark Abraham
• [gmx-users] RE: Low CPU usage multicore   Vitaly Chaban
• [gmx-users] RE: [Fwd: Installation Doubt]   Vitaly Chaban
• [gmx-users] pull code yields non-zero separations at t=0   chris.neale at utoronto.ca
• [gmx-users] [Fwd: low cpu usage]   Mark Abraham
• [gmx-users] Re: low cpu usage   Justin A. Lemkul
• [gmx-users] change coloumb interaction   Sang-Min Park
  • [gmx-users] change coloumb interaction   Mark Abraham
    • [gmx-users] change coloumb interaction   Sang-Min Park
      • [gmx-users] change coloumb interaction   Mark Abraham
• [gmx-users] low cpu usage   ha salem
  • [gmx-users] low cpu usage   Dr. Bernd Rupp
    • [gmx-users] low cpu usage   Yang Ye
      • [gmx-users] low cpu usage   Dr. Bernd Rupp
      • [gmx-users] low cpu usage   Jussi Lehtola
      • [gmx-users] low cpu usage   Yang Ye
      • [gmx-users] low cpu usage   Dr. Bernd Rupp
• [gmx-users] pull code yields non-zero separations at t=0   chris.neale at utoronto.ca
• [gmx-users] Meaning of CT, C_2, C_3 in ffoplsaabon.itp   ANINDITA GAYEN
  • [gmx-users] Meaning of CT, C_2, C_3 in ffoplsaabon.itp   Mark Abraham
• [gmx-users] Meaning of CT, C_2, C_3 in ffoplsaabon.itp   JMandumpal
• [gmx-users] Re: The number of PME nodes   Carsten Kutzner
  • [gmx-users] Re: The number of PME nodes   Mark Abraham
  • [gmx-users] Re: The number of PME nodes   Yang Ye
  • [gmx-users] Re: The number of PME nodes   Yang Ye
• [gmx-users] Newbie question   Andres Rojas Guerrero
  • [gmx-users] Newbie question   Justin A. Lemkul
  • [gmx-users] Newbie question   Marcus Kubitzki
    • [gmx-users] Newbie question   Tsjerk Wassenaar
• [gmx-users] RE: mdp files   Vitaly Chaban
• [gmx-users] Retrieving .trr file?   minnale
  • [gmx-users] Retrieving .trr file?   Tsjerk Wassenaar
• [gmx-users] Retrieving .trr file?   minnale
• [gmx-users] Does GROMACS have a multi-thread implementation?   Lee Soin
  • [gmx-users] Does GROMACS have a multi-thread implementation?   Carsten Kutzner
    • [gmx-users] Does GROMACS have a multi-thread implementation?   Lee Soin
      • [gmx-users] Does GROMACS have a multi-thread implementation?   Carsten Kutzner
      • [gmx-users] Does GROMACS have a multi-thread implementation?   Lee Soin
      • [gmx-users] Does GROMACS have a multi-thread implementation?   Yang Ye
• [gmx-users] POPC structure   minnale
  • [gmx-users] POPC structure   Justin A. Lemkul
• [gmx-users] ngmx. molecules or atoms numbers?   Vitaly Chaban
  • [gmx-users] ngmx. molecules or atoms numbers?   Xavier Periole
    • [gmx-users] ngmx. molecules or atoms numbers?   Vitaly Chaban
      • [gmx-users] ngmx. molecules or atoms numbers?   Xavier Periole
• [gmx-users] (no subject)   VENKATESH HARIHARAN
  • [gmx-users] (no subject)   Lee Soin
• [gmx-users] less number of 1-4 parameter combination   ANINDITA GAYEN
  • [gmx-users] less number of 1-4 parameter combination   Justin A. Lemkul
• [gmx-users] Re: modifying g_mdmat   Art Poon
• [gmx-users] Planar molecules / virtual sites   Dimitris Dellis
• [gmx-users] constraints   rams rams
  • [gmx-users] constraints   Mark Abraham
• [gmx-users] Terminal specification for DNA in Gro96 ff   Vigneshwar Ramakrishnan
• [gmx-users] g_energy to compute free energy difference   yren
• [gmx-users] Dynamical atom groups in 'index.ndx'   Vitaly Chaban
  • FW: [gmx-users] Dynamical atom groups in 'index.ndx'   Berk Hess
• [gmx-users] PCA uses average structure or reference structure   sunita gupta
  • [gmx-users] PCA uses average structure or reference structure   Tsjerk Wassenaar
• [gmx-users] Dealing with residues not in the topology database   Travis Craddock
  • [gmx-users] Dealing with residues not in the topology database   Justin A. Lemkul
    • [gmx-users] Dealing with residues not in the topology database   TJ Piggot
• [gmx-users] T-Coupling group   Serena Leone
  • [gmx-users] T-Coupling group   Justin A. Lemkul
• [gmx-users] user_defined_potential   Sang-Min Park
• [gmx-users] disulphide bonds   rams rams
  • [gmx-users] disulphide bonds   Tsjerk Wassenaar
    • [gmx-users] disulphide bonds   rams rams
      • [gmx-users] disulphide bonds   Justin A. Lemkul
      • [gmx-users] disulphide bonds   rams rams
      • [gmx-users] disulphide bonds   rams rams
      • [gmx-users] disulphide bonds   Justin A. Lemkul
• [gmx-users] Understanding about the deleted trajectory file   minnale
  • [gmx-users] Understanding about the deleted trajectory file   Justin A. Lemkul
• [gmx-users] new topologies with carbon nanotubes for gromacs   Vitaly Chaban
  • [gmx-users] new topologies with carbon nanotubes for gromacs   jolander at rci.rutgers.edu
• [gmx-users] RMSD, two simulations   Michal Kolinski
  • [gmx-users] RMSD, two simulations   Xavier Periole
  • [gmx-users] RMSD, two simulations   Marcus Kubitzki
• [gmx-users] Understanding about the deleted trajectory file   minnale
  • [gmx-users] Understanding about the deleted trajectory file   Justin A. Lemkul
  • [gmx-users] Understanding about the deleted trajectory file   Tsjerk Wassenaar
• [gmx-users] RE: understanding about the deleted trajectory file   Vitaly Chaban
• [gmx-users] Dynamical atom groups in 'index.ndx'   Vitaly Chaban
• [gmx-users] how to select 'P' atom for g_msd   sudheer babu
  • [gmx-users] how to select 'P' atom for g_msd   Justin A. Lemkul
• [gmx-users] RE[2]: Dealing with residues not in the topology database   Vitaly Chaban
• [gmx-users] Dynamical atom groups in 'index.ndx'   Vitaly Chaban
• [gmx-users] keeping 4 atoms on a plane fixed during md run   Abu Naser
  • Re: [gmx-users] keeping 4 atoms on a plane fixed during md run   Нилов Дмитрий
• [gmx-users] non-integer total charge of a Lysine molecule??   Sung Hyun Park
  • [gmx-users] non-integer total charge of a Lysine molecule??   Justin A. Lemkul
• [gmx-users] grompp warnings   Travis Craddock
• [gmx-users] RE: grompp warnings   Vitaly Chaban
• [gmx-users] RE: keeping 4 atoms on a plane fixed during md run   Vitaly Chaban
• [gmx-users] RE[2] how to select 'P' atom for g_msd   Vitaly Chaban
• [gmx-users] RE: non-integer total charge of a Lysine molecule??   Vitaly Chaban
• [gmx-users] non-integer total charge of a Lysine molecule??   Justin A. Lemkul
• [gmx-users] non-integer total charge of a Lysine molecule??   Sung Hyun Park
  • [gmx-users] non-integer total charge of a Lysine molecule??   Justin A. Lemkul
• [gmx-users] disulphide bonds   Justin A. Lemkul
• [gmx-users] ff53b6 for GROMACS 3.3.X?   Mitchell Stanton-Cook
  • [gmx-users] ff53b6 for GROMACS 3.3.X?   Berk Hess
    • [gmx-users] ff53b6 for GROMACS 3.3.X?   Mitchell Stanton-Cook
• [gmx-users] disulphide bonds   Justin A. Lemkul
  • [gmx-users] disulphide bonds   Tsjerk Wassenaar
• [gmx-users] Protein is moving out of box.   Bhanu
  • [gmx-users] Protein is moving out of box.   Tsjerk Wassenaar
• [gmx-users] RE: Protein is moving out of box.   Vitaly Chaban
  • [gmx-users] RE: Protein is moving out of box.   Tsjerk Wassenaar
    • [gmx-users] RE: Protein is moving out of box.   Vitaly Chaban
    • [gmx-users] RE: Protein is moving out of box.   Xavier Periole
• [gmx-users] Magic number error   minnale
  • [gmx-users] Magic number error   Tsjerk Wassenaar
• [gmx-users] High number of steps are adding   sudheer babu
  • [gmx-users] High number of steps are adding   Tsjerk Wassenaar
• [gmx-users] insulin   rams rams
  • [gmx-users] insulin   Justin A. Lemkul
• [gmx-users] RE: insulin   Vitaly Chaban
• [gmx-users] Protein is moving out of box.   chris.neale at utoronto.ca
  • [gmx-users] Protein is moving out of box.   Tsjerk Wassenaar
• [gmx-users] RE: Protein is moving out of box   Vitaly Chaban
• [gmx-users] Does anyone have a DPPC bilayer?   Jennifer Johnston
  • [gmx-users] Does anyone have a DPPC bilayer?   Justin A. Lemkul
• [gmx-users] instalation in FC7i386   Maximiliano A. Burgos Paci
  • [gmx-users] instalation in FC7i386   Jussi Lehtola
    • [gmx-users] instalation in FC7i386   Maximiliano A. Burgos Paci
    • [gmx-users] instalation in FC7i386   Justin A. Lemkul
      • [gmx-users] instalation in FC7i386   Jussi Lehtola
• [gmx-users] can gmx be used to simulation NaCl   Santan William
• [gmx-users] warning mesgs   rams rams
  • [gmx-users] warning mesgs   Justin A. Lemkul
  • [gmx-users] Re: warning mesgs   rams rams
    • [gmx-users] Re: warning mesgs   Justin A. Lemkul
      • [gmx-users] Re: warning mesgs   rams rams
      • [gmx-users] Re: warning mesgs   Nuno Azoia
      • [gmx-users] Re: warning mesgs   rams rams
      • [gmx-users] Re: warning mesgs   Justin A. Lemkul
• [gmx-users] RE: can gmx be used to simulation NaCl   Vitaly Chaban
  • [gmx-users] RE: can gmx be used to simulation NaCl   Tsjerk Wassenaar
    • [gmx-users] RE: can gmx be used to simulation NaCl   Vitaly Chaban
      • [gmx-users] RE: can gmx be used to simulation NaCl   Tsjerk Wassenaar
• [gmx-users] RE: instalation in FC7i386   Vitaly Chaban
• [gmx-users] Uncharged Lysine Charges on Hydrogens from NH2 group 0.36??   Joseph Schwartz
  • [gmx-users] Uncharged Lysine Charges on Hydrogens from NH2 group 0.36??   Joseph Schwartz
• [gmx-users] Segmentation fault with gromacs 3.3.3   Cesar Avila
• [gmx-users] Segmentation fault with gromacs 3.3.3   Cesar Avila
• [gmx-users] specbond recognised but not built   Grange Hermitage
  • [gmx-users] specbond recognised but not built   Tsjerk Wassenaar
• [gmx-users] specbond recognised but not built   Grange Hermitage
• [gmx-users] specbond # bonds   Grange Hermitage
  • [gmx-users] specbond # bonds   Justin A. Lemkul
• [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system   minnale
  • [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system   Justin A. Lemkul
• [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system   minnale
• [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system   minnale
  • [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system   Syma Khalid
  • [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system   Justin A. Lemkul
• [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system   minnale
• [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system   minnale
• [gmx-users] AFM Pulling index.ndx & pull.ppa   VENKATESH HARIHARAN
• [gmx-users] tpbconv functionality   Cesar Avila
  • [gmx-users] tpbconv functionality   Tsjerk Wassenaar
• [gmx-users] anyone knows how to install grace?   wang kelvin
  • [gmx-users] anyone knows how to install grace?   Lee Soin
    • [gmx-users] anyone knows how to install grace?   D D
    • [gmx-users] anyone knows how to install grace?   Marc F. Lensink
• [gmx-users] RE: anyone knows how to install grace?   Vitaly Chaban
• [gmx-users] step size too small   minnale
  • [gmx-users] step size too small   Tsjerk Wassenaar
• [gmx-users] Re: gmx-users Digest, Vol 50, Issue 97   eladp at elaine.tau.ac.il
• [gmx-users] Which ensemble for membrane proteins?   sudheer babu
  • [gmx-users] Which ensemble for membrane proteins?   Justin A. Lemkul
• [gmx-users] g_mindist possible bug - missing a frame   shayamra at post.tau.ac.il
• [gmx-users] typo on manual 3.3 pdf   Alan
• [gmx-users] FFGMX. Units of a constant.   Vitaly Chaban
• [gmx-users] yet another question about PBC...   Ramon Crehuet
  • [gmx-users] yet another question about PBC...   Justin A. Lemkul
• [gmx-users] Segmentation fault with gromacs 3.3.3   Cesar Avila
• [gmx-users] How to calculate dihedral angle ??   Chih-Ying Lin
  • AW: [gmx-users] How to calculate dihedral angle ??   serdar durdagi
  • [gmx-users] How to calculate dihedral angle ??   Justin A. Lemkul
• [gmx-users] Re: warning mesgs   rams rams
• [gmx-users] Missing H's in NADH topology?   Joaquim Rui Rodrigues

Last message date: Mon Jun 30 22:39:17 CEST 2008
Archived on: Thu Nov 14 12:04:46 CET 2013

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