April 2010 Archives by thread

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Starting: Thu Apr 1 00:27:21 CEST 2010
Ending: Fri Apr 30 22:33:58 CEST 2010
Messages: 745

• Re: 回复： [gmx-users] Re Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs?   Roland Schulz
  • 回复： 回复： [gmx-users] Re Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs?   hong bingbing
• [gmx-users] Is there sth. wrong with my pull code?   程迪
  • [gmx-users] Is there sth. wrong with my pull code?   Justin A. Lemkul
• [gmx-users] Hybrid MD-MC   Michael McGovern
• [gmx-users] custom forcefields or a new forcefields   DreamCatcher
  • [gmx-users] custom forcefields or a new forcefields   Mark Abraham
• [gmx-users] NVE mdp   Ramachandran G
• [gmx-users] NVE mdp   Erik Marklund
• [gmx-users] density tip3p   Zuzana Benkova
  • [gmx-users] density tip3p   nishap.patel at utoronto.ca
• [gmx-users] Invitation to connect on LinkedIn   Karel Berka
• [gmx-users] the LINCS and SETTLE constraint connection matrices are mass weighted   lina
  • [gmx-users] the LINCS and SETTLE constraint connection matrices are mass weighted   Berk Hess
• [gmx-users] custom forcefields or a new forcefields   DreamCatcher
  • [gmx-users] custom forcefields or a new forcefields   Mark Abraham
  • [gmx-users] custom forcefields or a new forcefields   Gareth Tribello
    • [gmx-users] custom forcefields or a new forcefields   Gareth Tribello
• [gmx-users] water box with prescribed volume and density   grivet
  • [gmx-users] water box with prescribed volume and density   Justin A. Lemkul
• [gmx-users] how to get averaged coordinates for a residue in a time interval?   Wu Rongqin
  • [gmx-users] how to get averaged coordinates for a residue in a time interval?   Justin A. Lemkul
    • [gmx-users] how to get averaged coordinates for a residue in a time interval?   Tsjerk Wassenaar
      • [gmx-users] how to get averaged coordinates for a residue in a time interval?   Dmitri Dubov
• [gmx-users] how to choose rlist and cutoffs   Robin C. Underwood
  • [gmx-users] how to choose rlist and cutoffs   Mark Abraham
• [gmx-users] density tip3p   Zuzana Benkova
• [gmx-users] X's in the ffcharmm27bon.itp force field   Lum Nforbi
  • [gmx-users] X's in the ffcharmm27bon.itp force field   Mark Abraham
• [gmx-users] Parameters for AOT molecule/Too few parameters on line   Lum Nforbi
  • [gmx-users] Parameters for AOT molecule/Too few parameters on line   Justin A. Lemkul
• [gmx-users] continuous energy increase in NVT and NVE simulations   jampani srinivas
• [gmx-users] Re: Parameters for AOT molecule/Too few parameters on line   Lum Nforbi
  • [gmx-users] Re: Parameters for AOT molecule/Too few parameters on line   Mark Abraham
• [gmx-users] Lindemann parameter   Tsjerk Wassenaar
• [gmx-users] problem with the size of freeze groups   jampani srinivas
• [gmx-users] insert silicon atoms into ice structure   Santan William
  • [gmx-users] insert silicon atoms into ice structure   Justin A. Lemkul
• [gmx-users] from cpmd to gromacs   Vitaly V. Chaban
• [gmx-users] gromacs, lam and condor   Hsin-Lin Chiang
  • [gmx-users] gromacs, lam and condor   Roland Schulz
• [gmx-users] constraint pull code causes crash   程迪
• [gmx-users] Visualization of .trr problem in VMD   shahid nayeem
  • [gmx-users] Visualization of .trr problem in VMD   Justin A. Lemkul
    • [gmx-users] Visualization of .trr problem in VMD   shahid nayeem
      • [gmx-users] Visualization of .trr problem in VMD   Justin A. Lemkul
• [gmx-users] Can gromacs be compiled for "openmp"   lina
  • [gmx-users] Can gromacs be compiled for "openmp"   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 72, Issue 13   Hsin-Lin Chiang
  • [gmx-users] Re: gmx-users Digest, Vol 72, Issue 13   Mark Abraham
• [gmx-users] g_sas   Chih-Ying Lin
  • [gmx-users] g_sas   Justin A. Lemkul
    • [gmx-users] g_sas   David van der Spoel
• [gmx-users] problem with total energy   jampani srinivas
  • [gmx-users] problem with total energy   ms
    • [gmx-users] problem with total energy   jampani srinivas
      • [gmx-users] problem with total energy   Justin A. Lemkul
      • [gmx-users] problem with total energy   jampani srinivas
      • [gmx-users] problem with total energy   Justin A. Lemkul
      • [gmx-users] problem with total energy   jampani srinivas
      • [gmx-users] problem with total energy   Mark Abraham
      • [gmx-users] problem with total energy   jampani srinivas
• [gmx-users] DSSP => how to edit .eps file   Chih-Ying Lin
  • [gmx-users] DSSP => how to edit .eps file   Justin A. Lemkul
    • [gmx-users] DSSP => how to edit .eps file   David van der Spoel
• [gmx-users] Potential Tables for user defined potentials   Sikandar Mashayak
  • [gmx-users] Potential Tables for user defined potentials   Justin A. Lemkul
    • [gmx-users] Potential Tables for user defined potentials   Gareth Tribello
      • [gmx-users] Potential Tables for user defined potentials   Sikandar Mashayak
      • [gmx-users] Potential Tables for user defined potentials   Justin A. Lemkul
• [gmx-users] Re: insert silicon atoms into ice structure   Santan William
• [gmx-users] Re: insert silicon atoms into ice structure (Justin A. Lemkul)   Santan William
  • [gmx-users] Re: insert silicon atoms into ice structure (Justin A. Lemkul)   Justin A. Lemkul
• [gmx-users] DSSP=> how to edit .eps file   Chih-Ying Lin
  • [gmx-users] DSSP=> how to edit .eps file   David van der Spoel
• [gmx-users] g_sas   Chih-Ying Lin
  • [gmx-users] g_sas   David van der Spoel
• [gmx-users] Re: configure error   lina
• [gmx-users] gromacs, lam and condor   Hsin-Lin Chiang
  • [gmx-users] gromacs, lam and condor   Oliver Stueker
• [gmx-users] DSSP=> how to edit .eps file   Chih-Ying Lin
  • [gmx-users] DSSP=> how to edit .eps file   Justin A. Lemkul
• [gmx-users] g_sas   Chih-Ying Lin
  • [gmx-users] g_sas   Chih-Ying Lin
    • [gmx-users] g_sas   David van der Spoel
• [gmx-users] DSSP=> how to edit .eps file   Chih-Ying Lin
  • [gmx-users] DSSP=> how to edit .eps file   Justin A. Lemkul
• [gmx-users] dssp FATAL ERROR.   vivek modi
  • [gmx-users] dssp FATAL ERROR.   Justin A. Lemkul
• [gmx-users] Restraints of COM   Eudes Fileti
• [gmx-users] Restraints of COM 2   Eudes Fileti
• [gmx-users] Topology and force fields   Lum Nforbi
  • [gmx-users] Topology and force fields   Gareth Tribello
    • [gmx-users] Topology and force fields   Justin A. Lemkul
• [gmx-users] Potential Tables for user defined potentials   Justin A. Lemkul
  • [gmx-users] Potential Tables for user defined potentials   Justin A. Lemkul
    • [gmx-users] Potential Tables for user defined potentials   sulatha M. S
• [gmx-users] help regarding gromacs   harish sharma
  • [gmx-users] help regarding gromacs   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 72, Issue 21   vivek modi
  • [gmx-users] Re: gmx-users Digest, Vol 72, Issue 21 (dssp FATAL ERROR)   Justin A. Lemkul
• [gmx-users] Re: Charmm port files for Gromacs   Pär Bjelkmar
• [gmx-users] loab imbalance.   lina
  • [gmx-users] loab imbalance.   Mark Abraham
• [gmx-users] OPSLAA parameters for sulphate ion   Subhrangshu Supakar
• [gmx-users] Simulation of only Lipid Bilayer   Saumya
  • [gmx-users] Simulation of only Lipid Bilayer   Arun kumar V
    • [gmx-users] Simulation of only Lipid Bilayer   Justin A. Lemkul
      • [gmx-users] Simulation of only Lipid Bilayer   Itamar Kass
      • [gmx-users] Simulation of only Lipid Bilayer   Arun kumar V
• [gmx-users] Re: loab imbalance   lina
  • [gmx-users] Re: loab imbalance   Berk Hess
  • [gmx-users] Re: loab imbalance   Justin A. Lemkul
• [gmx-users] RE: Re: loab imbalance   lina
  • [gmx-users] RE: Re: loab imbalance   Berk Hess
• [gmx-users] RE: Re: loab imbalance   lina
• [gmx-users] Re: loab imbalance   lina
  • [gmx-users] Re: loab imbalance   Berk Hess
• [gmx-users] Re: Re: loab imbalance   lina
  • [gmx-users] Re: Re: loab imbalance   Justin A. Lemkul
• [gmx-users] energy is coming "nan"   sarbani chattopadhyay
  • [gmx-users] energy is coming "nan"   Justin A. Lemkul
• [gmx-users] Re: Re: loab imbalance   lina
  • [gmx-users] Re: Re: loab imbalance   Berk Hess
• [gmx-users] about ending basepairs in DNA simulation   Wu Rongqin
  • [gmx-users] about ending basepairs in DNA simulation   Mark Abraham
    • 答复: [gmx-users] about ending basepairs in DNA simulation   Wu Rongqin
• [gmx-users] gromacs 4.0 on CRAY-XT4   Roland Schulz
• [gmx-users] Coulomb LR - PME vs. Cut-off   Marc Charendoff
  • [gmx-users] Coulomb LR - PME vs. Cut-off   Mark Abraham
• [gmx-users] Re: Re: loab imbalance   #ZHAO LINA#
• [gmx-users] link gromacs i7   Maurício Menegatti Rigo
  • [gmx-users] link gromacs i7   Mark Abraham
    • [gmx-users] link gromacs i7   XAvier Periole
      • [gmx-users] link gromacs i7   Berk Hess
• [gmx-users] Protein is having non-integral charge   sonali dhindwal
  • [gmx-users] Protein is having non-integral charge   Mark Abraham
• [gmx-users] converting parmbsc0 dihedrals to RB function   Vigneshwar Ramakrishnan
  • [gmx-users] converting parmbsc0 dihedrals to RB function   Mark Abraham
    • [gmx-users] converting parmbsc0 dihedrals to RB function   Vigneshwar Ramakrishnan
      • [gmx-users] converting parmbsc0 dihedrals to RB function   Mark Abraham
• [gmx-users] Re: converting parmbsc0 dihedrals to RB function   Alan
• [gmx-users] Re: loab imbalance   lina
• [gmx-users] Regarding inflategro.pl   Jignesh Patel
  • [gmx-users] Regarding inflategro.pl   Justin A. Lemkul
• [gmx-users] Re: Query regarding Gromacs   Justin A. Lemkul
• [gmx-users] position_restraint anfd full Dynamics and berendsen Nose hoover Thermostat   shahid nayeem
  • [gmx-users] position_restraint anfd full Dynamics and berendsen Nose hoover Thermostat   Mark Abraham
    • [gmx-users] position_restraint anfd full Dynamics and berendsen Nose hoover Thermostat   shahid nayeem
      • [gmx-users] position_restraint anfd full Dynamics and berendsen Nose hoover Thermostat   Mark Abraham
• [gmx-users] coarse-grained model of POPC in Martini coarse-grained force field?   xi zhao
  • [gmx-users] coarse-grained model of POPC in Martini coarse-grained force field?   XAvier Periole
• [gmx-users] Free Energy Calculations for linkage change   Sai Kumar Ramadugu
• [gmx-users] an energy minimization question, working with H-BONDS   Miguel Quiliano Meza
  • [gmx-users] an energy minimization question, working with H-BONDS   Justin A. Lemkul
• [gmx-users] Re: converting parmbsc0 dihedrals to RB function   Alan
• [gmx-users] Free Energy Calculations for linkage change in disaccharide   Sai Kumar Ramadugu
• [gmx-users] Lateral pressure profile in membrane simulations   Fernando E. Herrera
  • [gmx-users] Lateral pressure profile in membrane simulations   Dallas B. Warren
  • [gmx-users] Lateral pressure profile in membrane simulations   Martti Louhivuori
    • [gmx-users] Lateral pressure profile in membrane simulations   George Khelashvili
      • [gmx-users] Lateral pressure profile in membrane simulations   XAvier Periole
      • [gmx-users] Lateral pressure profile in membrane simulations   George Khelashvili
• [gmx-users] Memory corruption on SAS computation of a large (~1000000 frames) file   Camilo Andrés Jimenez Cruz
  • [gmx-users] Memory corruption on SAS computation of a large (~1000000 frames) file   Mark Abraham
    • [gmx-users] Memory corruption on SAS computation of a large (~1000000 frames) file   Camilo Andrés Jimenez Cruz
• [gmx-users] header intact   Sepideh Soltani
• [gmx-users] Fwd: help   Sepideh Soltani
  • [gmx-users] Fwd: help   Mark Abraham
• [gmx-users] Fwd: moleculetype CU1+ is redefined   Sepideh Soltani
• [gmx-users] energy minimization in charged systems   Ravi Bhadauria
  • [gmx-users] energy minimization in charged systems   Dallas B. Warren
• [gmx-users] Simulating a metal slab   radhika jaswal
  • [gmx-users] Simulating a metal slab   Mark Abraham
• [gmx-users] Re:Re: g_nmeig_d error:cannot allocate region   sarbani chattopadhyay
• [gmx-users] energy minimization - infinite force on atom   Evelyne Deplazes
  • [gmx-users] energy minimization - infinite force on atom   Mark Abraham
• [gmx-users] Potein-protein complex simulations   pawan raghav
  • [gmx-users] Potein-protein complex simulations   Mark Abraham
  • [gmx-users] Potein-protein complex simulations   Lucio Ricardo Montero Valenzuela
• [gmx-users] Re: gmx-users Digest, Vol 72, Issue 36   Ozge Engin
  • [gmx-users] Re: EM crashes   Mark Abraham
• [gmx-users] install problem of ngmx.   kecy_wu at sina.com
  • [gmx-users] install problem of ngmx.   Mark Abraham
• [gmx-users] H-bonds   Carla Jamous
  • [gmx-users] H-bonds   Justin A. Lemkul
• [gmx-users] g_nmeig_d error   sarbani chattopadhyay
• [gmx-users] Sarath Kumar Baskaran wants to stay in touch on LinkedIn   Sarath Kumar Baskaran
• [gmx-users] Problem with g_density   prithvi raj pandey
• [gmx-users] xml   #ZHAO LINA#
  • [gmx-users] xml   David van der Spoel
• [gmx-users] InflateGRO and pentamer protein simulation   xi zhao
  • [gmx-users] InflateGRO and pentamer protein simulation   Justin A. Lemkul
    • [gmx-users] InflateGRO and pentamer protein simulation   xi zhao
      • [gmx-users] InflateGRO and pentamer protein simulation   Justin A. Lemkul
      • [gmx-users] InflateGRO and pentamer protein simulation   shayamra at post.tau.ac.il
      • [gmx-users] InflateGRO and pentamer protein simulation   xi zhao
• [gmx-users] Problem with g_density   chris.neale at utoronto.ca
• [gmx-users] Re: Bilayer   Justin A. Lemkul
• [gmx-users] converting parmbsc0 dihedrals to RB function   gportel at gwdg.de
• [gmx-users] gromos ffG653a6 parameters for MTSET   Evelyne Deplazes
  • [gmx-users] gromos ffG653a6 parameters for MTSET   Mark Abraham
• [gmx-users] Joining two peptide chains   Anirban Ghosh
  • [gmx-users] Joining two peptide chains   Anirban Ghosh
    • [gmx-users] Joining two peptide chains   Tsjerk Wassenaar
• [gmx-users] g_sas => micelle ?   Chih-Ying Lin
• [gmx-users] Random Accelerator Molecular Dynamics   babu gokul
• [gmx-users] g_sas => protein and ligand aggregate interface area ?   Chih-Ying Lin
  • [gmx-users] g_sas => protein and ligand aggregate interface area ?   Tsjerk Wassenaar
• [gmx-users] Re: converting parmbsc0 dihedrals to RB function   Alan
• [gmx-users] Re: converting parmbsc0 dihedrals to RB function   gportel at gwdg.de
• [gmx-users] Re: converting parmbsc0 dihedrals to RB function   Alan
• [gmx-users] mdsimulation of drug enzyme complex   abhijit kayal
  • [gmx-users] mdsimulation of drug enzyme complex   Justin A. Lemkul
    • [gmx-users] mdsimulation of drug enzyme complex   abhijit kayal
      • [gmx-users] mdsimulation of drug enzyme complex   Justin A. Lemkul
      • [gmx-users] mdsimulation of drug enzyme complex   abhijit kayal
      • [gmx-users] mdsimulation of drug enzyme complex   Justin A. Lemkul
• [gmx-users] two reference groups in pull code   BIN ZHANG
• [gmx-users] CHARMM to GROMACS perl scripts   Peter Huwe
  • [gmx-users] CHARMM to GROMACS perl scripts   Roland Schulz
• [gmx-users] two reference groups in pull code   chris.neale at utoronto.ca
  • [gmx-users] two reference groups in pull code   BIN ZHANG
• [gmx-users] remove from mailing list   you zou
  • [gmx-users] remove from mailing list   Justin A. Lemkul
• [gmx-users] Fe+2 not found in forcefield ffG43a1   Miguel Quiliano Meza
  • [gmx-users] Fe+2 not found in forcefield ffG43a1   Justin A. Lemkul
• [gmx-users] hou to Construct the oil/water interface   kecy_wu at sina.com
  • [gmx-users] hou to Construct the oil/water interface   Mark Abraham
• [gmx-users] g_sas -pbc ???   Chih-Ying Lin
  • [gmx-users] g_sas -pbc ???   Mark Abraham
• [gmx-users] non-integral charge on my modeled protein structure   sonali dhindwal
  • [gmx-users] non-integral charge on my modeled protein structure   Mark Abraham
    • [gmx-users] non-integral charge on my modeled protein structure   sonali dhindwal
      • [gmx-users] non-integral charge on my modeled protein structure   Mark Abraham
• [gmx-users] How to deal with the top files   kecy_wu at sina.com
  • [gmx-users] How to deal with the top files   Justin A. Lemkul
• [gmx-users] problem with NVE ensemble simulation with Martini lipid   Sanku M
  • [gmx-users] problem with NVE ensemble simulation with Martini lipid   Mark Abraham
• [gmx-users] how to make ice crystal by TIP4P, TIP5P water model   Santan William
• [gmx-users] isntall problem of ngmx   kecy_wu at sina.com
  • [gmx-users] isntall problem of ngmx   Mark Abraham
  • [gmx-users] isntall problem of ngmx   Roland Schulz
• [gmx-users] install problem of ngmx   kecy_wu at sina.com
  • [gmx-users] install problem of ngmx   Justin A. Lemkul
  • [gmx-users] install problem of ngmx   Justin A. Lemkul
• [gmx-users] construct CG membrane protein and CG membrane and inflategro.pl   xi zhao
  • [gmx-users] construct CG membrane protein and CG membrane and inflategro.pl   Justin A. Lemkul
    • [gmx-users] construct CG membrane protein and CG membrane and inflategro.pl   xi zhao
    • [gmx-users] construct CG membrane protein and CG membrane and inflategro.pl   xi zhao
      • [gmx-users] construct CG membrane protein and CG membrane and inflategro.pl   Justin A. Lemkul
      • [gmx-users] construct CG membrane protein and CG membrane and inflategro.pl   xi zhao
      • [gmx-users] construct CG membrane protein and CG membrane and inflategro.pl   Justin A. Lemkul
  • [gmx-users] construct CG membrane protein and CG membrane and inflategro.pl   Mark Abraham
• [gmx-users] install problem of ngmx   kecy_wu at sina.com
  • [gmx-users] install problem of ngmx   Mark Abraham
• [gmx-users] output in gromos format   grivet
  • [gmx-users] output in gromos format   Justin A. Lemkul
  • [gmx-users] output in gromos format   Mark Abraham
• [gmx-users] Amino acid simulation   Chandan Choudhury
  • [gmx-users] Amino acid simulation   Tamas Horvath
  • [gmx-users] Amino acid simulation   Justin A. Lemkul
    • [gmx-users] Amino acid simulation   Chandan Choudhury
• [gmx-users] Trehalose RTP file trouble   Michael McGovern
  • [gmx-users] Trehalose RTP file trouble   Justin A. Lemkul
    • [gmx-users] Trehalose RTP file trouble   Tsjerk Wassenaar
• [gmx-users] Regarding Error "Atomtype OS not found"   Jignesh Patel
  • [gmx-users] Regarding Error "Atomtype OS not found"   Mark Abraham
• [gmx-users] Problem using trjconv and g_potential   Manik Mayur
• [gmx-users] Re: charmm lipid simulation and vsites   Pär Bjelkmar
• [gmx-users] How to change the resname?   kecy_wu at sina.com
  • [gmx-users] How to change the resname?   Justin A. Lemkul
• [gmx-users] How to prepare the two tolopogy files when doing TI calculation?   fancy2012
  • [gmx-users] How to prepare the two tolopogy files when doing TI calculation?   Mark Abraham
• [gmx-users] Segmentation fault with g_order   Javier Cerezo
  • [gmx-users] Segmentation fault with g_order   Justin A. Lemkul
• [gmx-users] Re: Regarding Error "Atomtype OS not found"   Vitaly V. Chaban
  • [gmx-users] Re: Regarding Error "Atomtype OS not found"   Justin A. Lemkul
• [gmx-users] Fwd: small help   XAvier Periole
• [gmx-users] g_sas to calculate the n-hexane/water interface surface area   Ozge Engin
• [gmx-users] OpenMM   PACIELLO GIULIA
  • [gmx-users] OpenMM   Rossen Apostolov
    • [gmx-users] OpenMM   PACIELLO GIULIA
      • [gmx-users] OpenMM   Mark Abraham
      • [gmx-users] OpenMM   PACIELLO GIULIA
      • [gmx-users] OpenMM   Mark Abraham
      • [gmx-users] OpenMM   PACIELLO GIULIA
      • [gmx-users] OpenMM   Mark Abraham
      • [gmx-users] OpenMM   PACIELLO GIULIA
      • [gmx-users] OpenMM   Mark Abraham
      • [gmx-users] OpenMM   PACIELLO GIULIA
• [gmx-users] Re: Regarding Error "Atom type OS not found"   Jignesh Patel
  • [gmx-users] Re: Regarding Error "Atom type OS not found"   Justin A. Lemkul
• [gmx-users] Question about setting deprotonated cys in enzyme structure ....   Alberto Sergio Garay
  • [gmx-users] Question about setting deprotonated cys in enzyme structure ....   Justin A. Lemkul
  • [gmx-users] Question about setting deprotonated cys in enzyme structure ....   XAvier Periole
• [gmx-users] combining energy files   nishap.patel at utoronto.ca
  • [gmx-users] combining energy files   XAvier Periole
    • [gmx-users] combining energy files   nishap.patel at utoronto.ca
      • [gmx-users] combining energy files   Justin A. Lemkul
• [gmx-users] Re: How to prepare the two tolopogy files when doing TI calculation?   fancy2012
  • [gmx-users] Re: How to prepare the two tolopogy files when doing TI calculation?   Justin A. Lemkul
• [gmx-users] questions about energy minimization   DreamCatcher
  • [gmx-users] questions about energy minimization   Mark Abraham
• [gmx-users] Re: small help   XAvier Periole
• [gmx-users] Hydrogens missing during parameterization   Anirban Ghosh
  • [gmx-users] Hydrogens missing during parameterization   XAvier Periole
    • [gmx-users] Hydrogens missing during parameterization   Anirban Ghosh
      • [gmx-users] Hydrogens missing during parameterization   XAvier Periole
      • [gmx-users] Hydrogens missing during parameterization   Anirban Ghosh
      • [gmx-users] Hydrogens missing during parameterization   Justin A. Lemkul
      • [gmx-users] Hydrogens missing during parameterization   XAvier Periole
• [gmx-users] *.xtc file is not getting created by mdrun program :(   Bharath.K. Chakravarthi
  • [gmx-users] *.xtc file is not getting created by mdrun program :(   Justin A. Lemkul
    • [gmx-users] *.xtc file is not getting created by mdrun program :(   Bharath.K. Chakravarthi
      • [gmx-users] *.xtc file is not getting created by mdrun program :(   Justin A. Lemkul
• [gmx-users] *.xtc file is not getting created by mdrun program :(   Bharath.K. Chakravarthi
  • [gmx-users] *.xtc file is not getting created by mdrun program :(   Bharath.K. Chakravarthi
    • [gmx-users] *.xtc file is not getting created by mdrun program :(   Justin A. Lemkul
      • [gmx-users] *.xtc file is not getting created by mdrun program :(   Bharath.K. Chakravarthi
• [gmx-users] nstfout parameter   Bharath.K. Chakravarthi
  • [gmx-users] nstfout parameter   Justin A. Lemkul
• [gmx-users] How to set the density of the box?   kecy_wu at sina.com
  • [gmx-users] How to set the density of the box?   Justin A. Lemkul
• [gmx-users] Concerns with g_wham   Jennifer Casey
  • [gmx-users] Concerns with g_wham   Jochen Hub
    • [gmx-users] Concerns with g_wham   Jennifer Casey
      • [gmx-users] Concerns with g_wham   Justin A. Lemkul
• [gmx-users] how to calculate diffusion constant of the entire lipid-bilayer   Sanku M
  • [gmx-users] how to calculate diffusion constant of the entire lipid-bilayer   XAvier Periole
• [gmx-users] modifying source code   Sang-Won Park
  • [gmx-users] modifying source code   Mark Abraham
• [gmx-users] Time for equilibration   sonali dhindwal
  • [gmx-users] Time for equilibration   XAvier Periole
    • [gmx-users] Time for equilibration   sonali dhindwal
      • [gmx-users] Time for equilibration   XAvier Periole
• [gmx-users] Re: How to set the density of the box?   Vitaly V. Chaban
• [gmx-users] How to remove overlapping lipid residues?   Jignesh Patel
  • [gmx-users] How to remove overlapping lipid residues?   XAvier Periole
• [gmx-users] Re: ffcharmm27 for HEME   Ramachandran G
  • [gmx-users] Re: ffcharmm27 for HEME   Mark Abraham
  • [gmx-users] Re: ffcharmm27 for HEME   Pär Bjelkmar
    • [gmx-users] Re: ffcharmm27 for HEME   Ramachandran G
• [gmx-users] CG-MD simulation of protein, always crash with protein   Trang
  • [gmx-users] CG-MD simulation of protein, always crash with protein   XAvier Periole
    • [gmx-users] CG-MD simulation of protein, always crash with protein   Trang
      • [gmx-users] CG-MD simulation of protein, always crash with protein   Martti Louhivuori
      • [gmx-users] CG-MD simulation of protein, always crash with protein   Trang
      • [gmx-users] CG-MD simulation of protein, always crash with protein   XAvier Periole
      • [gmx-users] CG-MD simulation of protein, always crash with protein   Trang
      • [gmx-users] CG-MD simulation of protein, always crash with protein   Martti Louhivuori
      • [gmx-users] CG-MD simulation of protein, always crash with protein   Trang
      • [gmx-users] CG-MD simulation of protein, always crash with protein   XAvier Periole
• [gmx-users] g_sas command with the -q option   Ozge Engin
• [gmx-users] SMD simulations stops without error   toby10222224 at sina.com
• [gmx-users] slow speed   Shuangxing Dai
  • [gmx-users] slow speed   Justin A. Lemkul
  • [gmx-users] slow speed   XAvier Periole
  • [gmx-users] slow speed   Mark Abraham
    • [gmx-users] slow speed   Florian Dommert
  • [gmx-users] slow speed   Jochen Hub
• [gmx-users] Concerns with g_wham   chris.neale at utoronto.ca
• [gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3   Sebastien Morin
• [gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3   chris.neale at utoronto.ca
  • [gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3   Sebastien Morin
• [gmx-users] Re: slow speed   Shuangxing Dai
  • [gmx-users] Re: slow speed   Justin A. Lemkul
    • [gmx-users] Re: slow speed   XAvier Periole
  • [gmx-users] Re: slow speed   Carsten Kutzner
• [gmx-users] Is PME related to nslist??   Joonho Lee
  • [gmx-users] Is PME related to nslist??   Mark Abraham
• [gmx-users] Large dVpot/dlamda values at lambda = 1   Sai Kumar Ramadugu
• [gmx-users] TIP3P water box   kecy_wu at sina.com
  • [gmx-users] TIP3P water box   Justin A. Lemkul
  • [gmx-users] TIP3P water box   Andrew Paluch
• [gmx-users] Protein in water/DMSO mixture with Amber   Simone Cirri
  • [gmx-users] Protein in water/DMSO mixture with Amber   Justin A. Lemkul
• [gmx-users] Dihedral potentials   Florian Dommert
  • [gmx-users] Dihedral potentials   XAvier Periole
    • [gmx-users] Dihedral potentials   Florian Dommert
      • [gmx-users] Dihedral potentials   XAvier Periole
  • [gmx-users] Dihedral potentials   Berk Hess
• [gmx-users] conversion of desmond trajectory files into gromacs   ram bio
  • [gmx-users] conversion of desmond trajectory files into gromacs   XAvier Periole
    • [gmx-users] conversion of desmond trajectory files into gromacs   ram bio
      • [gmx-users] conversion of desmond trajectory files into gromacs   XAvier Periole
      • [gmx-users] conversion of desmond trajectory files into gromacs   Roland Schulz
      • [gmx-users] conversion of desmond trajectory files into gromacs   XAvier Periole
      • [gmx-users] conversion of desmond trajectory files into gromacs   Roland Schulz
• [gmx-users] calculation of potential and Sg   Paymon Pirzadeh
• [gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3   Chris Neale
  • [gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3   Sebastien Morin
    • [gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3   Justin A. Lemkul
• [gmx-users] load imbalance   jayant james
  • [gmx-users] load imbalance   Justin A. Lemkul
• [gmx-users] GROMACS reproducibility   Lucio Ricardo Montero Valenzuela
  • [gmx-users] GROMACS reproducibility   Justin A. Lemkul
• [gmx-users] How to use the walls   kecy_wu at sina.com
• [gmx-users] is it any serious error   Bharath.K. Chakravarthi
  • [gmx-users] is it any serious error   Justin A. Lemkul
• [gmx-users] simulating the effect of Ph   Bharath.K. Chakravarthi
  • [gmx-users] simulating the effect of Ph   Justin A. Lemkul
• [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   rasoul nasiri
  • [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   Justin A. Lemkul
    • [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   rasoul nasiri
      • [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   Justin A. Lemkul
      • [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   Justin A. Lemkul
      • [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   rasoul nasiri
      • [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   Justin A. Lemkul
      • [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   rasoul nasiri
  • [gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes   Jochen Hub
• [gmx-users] manual eq. 4.74-4.75 (dihedral restraints) head scratcher   Daniel L. Ensign
  • [gmx-users] manual eq. 4.74-4.75 (dihedral restraints) head scratcher   Justin A. Lemkul
    • [gmx-users] manual eq. 4.74-4.75 (dihedral restraints) head scratcher   Berk Hess
• [gmx-users] output of dssp   Hsin-Lin
  • [gmx-users] output of dssp   Justin A. Lemkul
• [gmx-users] Had anybody modied the source code of gromacs   聂雪川
  • [gmx-users] Had anybody modied the source code of gromacs   Mark Abraham
• [gmx-users] help   shikhar gupta
• [gmx-users] Re: Gromacs issue   Mark Abraham
• [gmx-users] Problem with tabulated potentials for 3 different atoms   Martin Vartorelli
  • [gmx-users] Problem with tabulated potentials for 3 different atoms   Gareth Tribello
  • [gmx-users] Problem with tabulated potentials for 3 different atoms   Berk Hess
• [gmx-users] about H-Bonds g_hbond   babu gokul
  • [gmx-users] about H-Bonds g_hbond   Justin A. Lemkul
    • [gmx-users] about H-Bonds g_hbond   Erik Marklund
      • [gmx-users] about H-Bonds g_hbond   Justin A. Lemkul
      • [gmx-users] about H-Bonds g_hbond   Erik Marklund
• [gmx-users] Directional calculation Sg and Potential   Paymon Pirzadeh
  • [gmx-users] Directional calculation Sg and Potential   Mark Abraham
• [gmx-users] Re: manual eq. 4.74-4.75 (dihedral restraints) head scratcher   Daniel L. Ensign
  • [gmx-users] Re: manual eq. 4.74-4.75 (dihedral restraints) head scratcher   Justin A. Lemkul
• [gmx-users] Re : keeping the protein in the centre of the simulation box.   bharat gupta
  • [gmx-users] Re : keeping the protein in the centre of the simulation box.   Justin A. Lemkul
• [gmx-users] reference for gromos 87 within PRODRG   Jennifer Williams
  • [gmx-users] reference for gromos 87 within PRODRG   Justin A. Lemkul
• [gmx-users] Problem with tabulated potentials   Jhony Tolengo
  • [gmx-users] Problem with tabulated potentials   Mark Abraham
  • [gmx-users] Problem with tabulated potentials   Justin A. Lemkul
• [gmx-users] Histrionic answers doesn't help!   Jhony Tolengo
  • [gmx-users] Histrionic answers doesn't help!   Jared James Thompson
• [gmx-users] help   udaya dahal
  • [gmx-users] help   Dallas B. Warren
• [gmx-users] Force output   Avisek Das
  • [gmx-users] Force output   ilona.baldus at bioquant.uni-heidelberg.de
• [gmx-users] (no subject)   shahid nayeem
  • [gmx-users] (no subject)   Mark Abraham
    • [gmx-users] (no subject)   Erik Marklund
• [gmx-users] Finishing time donot showing   Bharath.K
  • [gmx-users] Finishing time donot showing   XAvier Periole
    • [gmx-users] Finishing time donot showing   Bharath.K. Chakravarthi
      • [gmx-users] Finishing time donot showing   XAvier Periole
      • [gmx-users] Finishing time donot showing   Bharath.K
      • [gmx-users] Finishing time donot showing   Justin A. Lemkul
      • [gmx-users] Finishing time donot showing   Bharath.K. Chakravarthi
      • [gmx-users] Finishing time donot showing   Bharath.K. Chakravarthi
      • [gmx-users] Finishing time donot showing   XAvier Periole
      • [gmx-users] Finishing time donot showing   Bharath.K. Chakravarthi
      • [gmx-users] Finishing time donot showing   Justin A. Lemkul
      • [gmx-users] Finishing time donot showing   Tsjerk Wassenaar
      • [gmx-users] Finishing time donot showing   Justin A. Lemkul
  • [gmx-users] Finishing time donot showing   Justin A. Lemkul
• [gmx-users] Problem with tabulated potentials for 3 different atoms   Martin Vartorelli
  • [gmx-users] Problem with tabulated potentials for 3 different atoms   Berk Hess
• [gmx-users] genbox   fahimeh bafti
  • [gmx-users] genbox   Justin A. Lemkul
    • [gmx-users] genbox   fahimeh bafti
      • [gmx-users] genbox   Justin A. Lemkul
      • [gmx-users] genbox   fahimeh bafti
      • [gmx-users] genbox   Justin A. Lemkul
      • [gmx-users] genbox   shahid nayeem
• [gmx-users] Problems with g_energy   Gavin Melaugh
  • [gmx-users] Problems with g_energy   Justin A. Lemkul
    • [gmx-users] Problems with g_energy   Gavin Melaugh
      • [gmx-users] Problems with g_energy   Justin A. Lemkul
      • [gmx-users] Problems with g_energy   Gavin Melaugh
      • [gmx-users] Problems with g_energy   Justin A. Lemkul
• [gmx-users] parallel simulation in dual core PC   Hsin-Lin
  • [gmx-users] parallel simulation in dual core PC   Mark Abraham
  • [gmx-users] parallel simulation in dual core PC   Arden Perkins
    • [gmx-users] parallel simulation in dual core PC   Justin A. Lemkul
    • [gmx-users] parallel simulation in dual core PC   Mark Abraham
• [gmx-users] Size of generating data   Bharath.K. Chakravarthi
  • [gmx-users] Size of generating data   Milan Melichercik
• [gmx-users] interaction parameter, polyolefin solution, ternary system   Moeed
  • [gmx-users] interaction parameter, polyolefin solution, ternary system   Mark Abraham
• [gmx-users] Tabulated potentials   Martin Vartorelli
  • [gmx-users] Tabulated potentials   Gareth Tribello
• [gmx-users] High quality movies, bmp frames and videomach=poor quality   Jennifer Williams
  • [gmx-users] High quality movies, bmp frames and videomach=poor quality   XAvier Periole
    • [gmx-users] make_edi   vijaya subramanian
      • [gmx-users] make_edi   Carsten Kutzner
      • [gmx-users] make_edi   vijaya subramanian
• [gmx-users] 'SHAKE' : gromacs 4.0.7   Ramachandran G
  • [gmx-users] 'SHAKE' : gromacs 4.0.7   Justin A. Lemkul
  • [gmx-users] 'SHAKE' : gromacs 4.0.7   Lucio Ricardo Montero Valenzuela
• [gmx-users] query on constraint-force pull code   Sanku M
• [gmx-users] how to use altivec on power6 cpu   shuqi zhao
  • [gmx-users] how to use altivec on power6 cpu   Mark Abraham
    • [gmx-users] how to use altivec on power6 cpu   shuqi zhao
• [gmx-users] gromacs   Liu Shiyong
  • [gmx-users] Re: gromacs   Liu Shiyong
    • [gmx-users] Re: gromacs   Mark Abraham
    • [gmx-users] potential calculation   Peicho Petkov
      • [gmx-users] potential calculation   XAvier Periole
• [gmx-users] simulated annealing   leila karami
  • [gmx-users] simulated annealing   Justin A. Lemkul
• [gmx-users] can't see bonds between my CG beads in VMD   swapnil chavan
  • [gmx-users] can't see bonds between my CG beads in VMD   Justin A. Lemkul
• [gmx-users] simulated annealing   leila karami
  • [gmx-users] simulated annealing   Justin A. Lemkul
• [gmx-users] simulated annealing   leila karami
  • [gmx-users] simulated annealing   Justin A. Lemkul
• [gmx-users] Atom Type not found............   PAVAN PAYGHAN
  • [gmx-users] Atom Type not found............   Justin A. Lemkul
• [gmx-users] simulated annealing   leila karami
  • [gmx-users] simulated annealing   Mark Abraham
• [gmx-users] genbox   Justin A. Lemkul
• [gmx-users] parallel simulation in dual core PC   Hsin-Lin
  • [gmx-users] parallel simulation in dual core PC   Mark Abraham
• [gmx-users] The problems of controling one atom through modify gromacs sourse code   聂雪川
  • [gmx-users] The problems of controling one atom through modifygromacs sourse code   Carsten Kutzner
• [gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations   Berk Hess
  • [gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations   jampani srinivas
    • [gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations   Berk Hess
      • [gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations   jampani srinivas
      • [gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations   Berk Hess
      • [gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations   jampani srinivas
      • [gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations   Berk Hess
      • [gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations   jampani srinivas
• [gmx-users] free energy : query on constraint force pull code   Sanku M
• [gmx-users] Postdoctoral position in BCAM   Elena Akhmatskaya
• [gmx-users] help(Free Energy)   shikhar gupta
  • [gmx-users] help(Free Energy)   Justin A. Lemkul
• [gmx-users] warning when process the files with grompp   kecy_wu at sina.com
  • [gmx-users] warning when process the files with grompp   Dallas B. Warren
• [gmx-users] g_rama, g_chi for polymer structure   Yongchul Chung
  • [gmx-users] g_rama, g_chi for polymer structure   Mark Abraham
• [gmx-users] Understanding template.c   Chandan Choudhury
  • [gmx-users] Understanding template.c   Mark Abraham
• [gmx-users] the error for 2D periodic boundary   kecy_wu at sina.com
• [gmx-users] .mtx file   Nilesh Dhumal
  • [gmx-users] .mtx file   Justin A. Lemkul
    • [gmx-users] .mtx file   Nilesh Dhumal
      • [gmx-users] .mtx file   Justin A. Lemkul
      • [gmx-users] .mtx file   Nilesh Dhumal
      • [gmx-users] .mtx file   Justin A. Lemkul
      • [gmx-users] .mtx file   Nilesh Dhumal
      • [gmx-users] .mtx file   Justin A. Lemkul
• [gmx-users] Magic error xtc?   nishap.patel at utoronto.ca
  • [gmx-users] Magic error xtc?   Justin A. Lemkul
    • [gmx-users] Magic error xtc?   nishap.patel at utoronto.ca
      • [gmx-users] Magic error xtc?   Justin A. Lemkul
      • [gmx-users] Magic error xtc?   Tsjerk Wassenaar
      • [gmx-users] Magic error xtc?   nishap.patel at utoronto.ca
• [gmx-users] make_edi, more info   vijaya subramanian
• [gmx-users] No Temperature Coupling to protein   Ricardo O. S. Soares
  • [gmx-users] No Temperature Coupling to protein   Justin A. Lemkul
• [gmx-users] Re: No Temperature Coupling to protein (Justin A. Lemkul)   Ricardo O. S. Soares
• [gmx-users] grompp, energy minimization,, output file error   Moeed
  • [gmx-users] grompp, energy minimization,, output file error   Justin A. Lemkul
  • [gmx-users] grompp, energy minimization,, output file error   Dallas B. Warren
  • [gmx-users] grompp, energy minimization,, output file error   Mark Abraham
• [gmx-users] more than one peptide in one simulation box   shahid nayeem
  • [gmx-users] more than one peptide in one simulation box   Mark Abraham
    • [gmx-users] more than one peptide in one simulation box   shahid nayeem
      • [gmx-users] more than one peptide in one simulation box   Justin A. Lemkul
      • [gmx-users] more than one peptide in one simulation box   shahid nayeem
      • [gmx-users] more than one peptide in one simulation box   Justin A. Lemkul
      • [gmx-users] more than one peptide in one simulation box   shahid nayeem
      • [gmx-users] more than one peptide in one simulation box   Justin A. Lemkul
      • [gmx-users] more than one peptide in one simulation box   Mark Abraham
      • [gmx-users] more than one peptide in one simulation box   shahid nayeem
      • [gmx-users] more than one peptide in one simulation box   Mark Abraham
• [gmx-users] To calculate surface area of of simulated protein   Bharath.K. Chakravarthi
  • [gmx-users] To calculate surface area of of simulated protein   Mark Abraham
• [gmx-users] Re: Re: The problems of controling one atom through modifygromacs   聂雪川
• [gmx-users] Freezing a portion of a protein during simulation   Anirban Ghosh
  • [gmx-users] Freezing a portion of a protein during simulation   Justin A. Lemkul
    • [gmx-users] Freezing a portion of a protein during simulation   Anirban Ghosh
      • [gmx-users] Freezing a portion of a protein during simulation   Anirban Ghosh
      • [gmx-users] Freezing a portion of a protein during simulation   Justin A. Lemkul
      • [gmx-users] Freezing a portion of a protein during simulation   Anirban Ghosh
      • [gmx-users] Freezing a portion of a protein during simulation   Anirban Ghosh
      • [gmx-users] Freezing a portion of a protein during simulation   Anirban Ghosh
      • [gmx-users] Freezing a portion of a protein during simulation   Justin A. Lemkul
• [gmx-users] g_wham giving flat free energy   Michael McGovern
  • [gmx-users] g_wham giving flat free energy   Jochen Hub
• [gmx-users] grompp error(Segmentation fault)   Arik Cohen
  • [gmx-users] grompp error(Segmentation fault)   Mark Abraham
    • [gmx-users] grompp error(Segmentation fault)   Arik Cohen
      • [gmx-users] grompp error(Segmentation fault)   Mark Abraham
      • [gmx-users] grompp error(Segmentation fault)   Justin A. Lemkul
      • [gmx-users] grompp error(Segmentation fault)   Arik Cohen
      • [gmx-users] grompp error(Segmentation fault)   Arik Cohen
      • [gmx-users] grompp error(Segmentation fault)   Justin A. Lemkul
• [gmx-users] Hydrocarbon system, help on mdp setting +output file   Moeed
  • [gmx-users] Hydrocarbon system, help on mdp setting +output file   Justin A. Lemkul
• [gmx-users] simulated annealing (SA)   shahab shariati
  • [gmx-users] simulated annealing (SA)   Justin A. Lemkul
• [gmx-users] simulated annealing (SA)   shahab shariati
  • [gmx-users] simulated annealing (SA)   Justin A. Lemkul
• [gmx-users] Cutoff value during lipid shrinking using inflategro.pl script   Jignesh Patel
  • [gmx-users] Cutoff value during lipid shrinking using inflategro.pl script   Justin A. Lemkul
• [gmx-users] large oscillation in mean force with constraint   Sanku M
• [gmx-users] simulated annealing (SA)   shahab shariati
  • [gmx-users] simulated annealing (SA)   Justin A. Lemkul
• [gmx-users] distance restrainrts problem   Павел Кудрявцев
  • [gmx-users] distance restrainrts problem   Mark Abraham
• [gmx-users] preprocessing in position restrained step, problem with binary top file   Moeed
  • [gmx-users] preprocessing in position restrained step, problem with binary top file   Justin A. Lemkul
• [gmx-users] PhD position   Kukol, Andreas
• [gmx-users] Ensemble Averaging   Arthur Roberts
  • [gmx-users] Ensemble Averaging   Justin A. Lemkul
• [gmx-users] preprocessing in position restrained step   Moeed
• [gmx-users] simulated annealing (SA)   shahab shariati
  • [gmx-users] simulated annealing (SA)   Justin A. Lemkul
• [gmx-users] simulated annealing   leila karami
  • [gmx-users] simulated annealing   Mark Abraham
• [gmx-users] mutation to/from proline   afsaneh maleki
  • [gmx-users] mutation to/from proline   Mark Abraham
• [gmx-users] segmentation fault in position restrained step   Moeed
  • [gmx-users] segmentation fault in position restrained step   Justin A. Lemkul
• [gmx-users] Segmentation fault with gromacs executables   Sikandar Mashayak
  • [gmx-users] Segmentation fault with gromacs executables   Mark Abraham
    • [gmx-users] Segmentation fault with gromacs executables   Mark Abraham
• [gmx-users] Re: Calculate RMSD   Justin A. Lemkul
• [gmx-users] make_edi, g_covar -nofit   vijaya subramanian
• [gmx-users] periodic boundary box   Qian Wang
  • [gmx-users] periodic boundary box   Justin A. Lemkul
• [gmx-users] (no subject)   vani ms
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] Normal Mode Analysis   Anirban Ghosh
  • [gmx-users] Normal Mode Analysis   Anirban Ghosh
    • [gmx-users] Normal Mode Analysis   Ran Friedman
• [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
  • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   XAvier Periole
    • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   Justin A. Lemkul
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   XAvier Periole
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   Justin A. Lemkul
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   XAvier Periole
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   XAvier Periole
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   Justin A. Lemkul
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   Justin A. Lemkul
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   Justin A. Lemkul
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   Justin A. Lemkul
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   ERIKSSON, EMMA
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   Justin A. Lemkul
      • [gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box   Justin A. Lemkul
• [gmx-users] help   vani ms
  • [gmx-users] help   Justin A. Lemkul
  • [gmx-users] help   Lucio Ricardo Montero Valenzuela
    • [gmx-users] help   Justin A. Lemkul
      • [gmx-users] Solvent addition   teklebrh at ualberta.ca
• [gmx-users] Ensemble averaging between two proteins in the same box.   Arthur Roberts
• [gmx-users] Re: Solvent addition   Justin A. Lemkul
• [gmx-users] I noticed implicit_solvent in the mdout.mdp. Is it going to be implemented soon?   Arthur Roberts
  • [gmx-users] I noticed implicit_solvent in the mdout.mdp. Is it going to be implemented soon?   Justin A. Lemkul
• [gmx-users] h_bond error   Maurício Menegatti Rigo
  • [gmx-users] h_bond error   Justin A. Lemkul
    • [gmx-users] h_bond error   Maurício Menegatti Rigo
• [gmx-users] RDF   Nilesh Dhumal
  • [gmx-users] RDF   Florian Dommert
• [gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa   Ming Han
  • [gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa   Justin A. Lemkul
    • [gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa   Ming Han
      • [gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa   Justin A. Lemkul
• [gmx-users] Optimal Hardware for Gromacs   Igor Leontyev
  • [gmx-users] Optimal Hardware for Gromacs   David van der Spoel
• [gmx-users] simulated annealing (SA)   shahab shariati
  • [gmx-users] simulated annealing (SA)   Justin A. Lemkul
• [gmx-users] Re: how many dihedral angles should be included for the naphthalene molecule if I use oplsaa   Alan
• [gmx-users] 1-4 interaction and Buckingham potential   Markus Kaukonen
• [gmx-users] implicit solvent simulation in gromacs   Chanchal
  • [gmx-users] implicit solvent simulation in gromacs   XAvier Periole
  • [gmx-users] implicit solvent simulation in gromacs   Justin A. Lemkul
• [gmx-users] 64-bit gromacs-4.0.7 for Mac OSX   J. Rui Rodrigues
  • [gmx-users] 64-bit gromacs-4.0.7 for Mac OSX   Justin A. Lemkul
    • [gmx-users] 64-bit gromacs-4.0.7 for Mac OSX   J. Rui Rodrigues
      • [gmx-users] 64-bit gromacs-4.0.7 for Mac OSX   Mark Abraham
      • [gmx-users] 64-bit gromacs-4.0.7 for Mac OSX   J. Rui Rodrigues
      • [gmx-users] 64-bit gromacs-4.0.7 for Mac OSX   Mark Abraham
• [gmx-users] Re: g_wham giving flat free energy   Stefan Hoorman
• [gmx-users] g_wham gets stuck   Amir Marcovitz
  • [gmx-users] g_wham gets stuck   Justin A. Lemkul
  • [gmx-users] g_wham gets stuck   Jochen Hub
    • [gmx-users] g_wham gets stuck   Amir Marcovitz
      • [gmx-users] g_wham gets stuck   Justin A. Lemkul
      • [gmx-users] g_wham gets stuck   Jochen Hub
• [gmx-users] pull distance   milad ekramnia
• [gmx-users] angle   Nilesh Dhumal
  • [gmx-users] angle   Justin A. Lemkul
    • [gmx-users] angle   Oliver Grant
• [gmx-users] Lincs warning   Moeed
  • [gmx-users] Lincs warning   Justin A. Lemkul
• [gmx-users] Re: pull distance   Thomas Schlesier
• [gmx-users] comm-grps problem gromacs 4.0.4   Oliver Grant
  • [gmx-users] comm-grps problem gromacs 4.0.4   Justin A. Lemkul
    • [gmx-users] comm-grps problem gromacs 4.0.4   Oliver Grant
      • [gmx-users] comm-grps problem gromacs 4.0.4   Justin A. Lemkul
• [gmx-users] Simulation of ONLY Lipid Bilayer   Saumya
  • [gmx-users] Simulation of ONLY Lipid Bilayer   Anirban Ghosh
• [gmx-users] query about generation of 2D histogram   sangeeta kundu
• [gmx-users] Problem with Charmm in gromacs   Fabrizio Marinelli
  • [gmx-users] Problem with Charmm in gromacs   Justin A. Lemkul
• [gmx-users] Problem with Charmm in gromacs   Justin A. Lemkul
  • [gmx-users] Problem with Charmm in gromacs   Fabrizio Marinelli
  • [gmx-users] Problem in the gromacs git version   Fabrizio Marinelli
    • [gmx-users] Problem in the gromacs git version   Fabrizio Marinelli
    • [gmx-users] Problem in the gromacs git version   Mark Abraham
      • [gmx-users] Problem in the gromacs git version   Fabrizio Marinelli
      • [gmx-users] Problem in the gromacs git version: SOURCE FOUND   Fabrizio Marinelli
      • [gmx-users] Problem in the gromacs git version: SOURCE FOUND   Roland Schulz
• [gmx-users] Hard Sphere?   nishap.patel at utoronto.ca
• [gmx-users] unstability of system, lincs problem   Moeed
  • [gmx-users] unstability of system, lincs problem   XAvier Periole
  • [gmx-users] unstability of system, lincs problem   Justin A. Lemkul
• [gmx-users] Problem with Charmm in gromacs   Pär Bjelkmar
• [gmx-users] How to reduce high repulsion from system?   Moeed
  • [gmx-users] How to reduce high repulsion from system?   Justin A. Lemkul
    • [gmx-users] How to reduce high repulsion from system?   Justin A. Lemkul
• [gmx-users] Units + normal mode analysis   Nilesh Dhumal
  • [gmx-users] Units + normal mode analysis   Justin A. Lemkul
• [gmx-users] Remove water from trajectory   Anirban Ghosh
  • [gmx-users] Remove water from trajectory   Mark Abraham
• [gmx-users] .itp file for DMSO needs to be changed - bug report   Saikat Banerjee
  • [gmx-users] .itp file for DMSO needs to be changed - bug report   Esteban Gabriel Vega Hissi
    • [gmx-users] .itp file for DMSO needs to be changed - bug report   Justin A. Lemkul
      • [gmx-users] .itp file for DMSO needs to be changed - bug report   Esteban Gabriel Vega Hissi
      • [gmx-users] .itp file for DMSO needs to be changed - bug report   Justin A. Lemkul
• [gmx-users] Reg: Running gromacs on a condor cluster   Rohit Farmer
  • [gmx-users] Reg: Running gromacs on a condor cluster   Esztermann, Ansgar
• [gmx-users] parametrization of FAD   Giulia Gonnelli
  • [gmx-users] parametrization of FAD   Justin A. Lemkul
    • [gmx-users] parametrization of FAD   Thomas Piggot
      • [gmx-users] parametrization of FAD   Thomas Piggot
• [gmx-users] G_gyrate doubt   Maurício Menegatti Rigo

Last message date: Fri Apr 30 22:33:58 CEST 2010
Archived on: Thu Nov 14 12:08:32 CET 2013

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