September 2009 Archives by date

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Starting: Tue Sep 1 04:11:54 CEST 2009
Ending: Wed Sep 30 23:28:28 CEST 2009
Messages: 837

[gmx-users] error in Deuterium order analysis Samik Bhattacharya
[gmx-users] Segmentation fault 秦光荣
[gmx-users] Force constant for umbrella sampling potential mircial at sjtu.edu.cn
[gmx-users] Re: Segmentation fault 秦光荣
[gmx-users] Re: Segmentation fault Mark Abraham
[gmx-users] PMF using umbrella sampling Berk Hess
[gmx-users] Force constant for umbrella sampling potential Berk Hess
[gmx-users] periodic moleules Andrei Neamtu
[gmx-users] periodic moleules Mark Abraham
[gmx-users] periodic moleules Berk Hess
[gmx-users] Binary mixture Abhishek Banerjee
[gmx-users] Re: Binary mixture Justin A. Lemkul
[gmx-users] Re: Binary mixture Vitaly V. Chaban
[gmx-users] puzzled about hydration free energy of Toluene Jinyao Wang
[gmx-users] Re: Binary mixture Justin A. Lemkul
[gmx-users] Re: Binary mixture Vitaly V. Chaban
[gmx-users] Re: Binary mixture Vitaly V. Chaban
[gmx-users] PMF using umbrella sampling Bob Johnson
[gmx-users] PMF using umbrella sampling Berk Hess
[gmx-users] How to generate generic data files for g_wham Ragnarok sdf
[gmx-users] Thermostats in a NEMD Manik Mayur
[gmx-users] How to generate generic data files for g_wham Justin A. Lemkul
[gmx-users] Ensuring of periodicity in bilayer simulation Hideya Nakamura
[gmx-users] Ensuring of periodicity in bilayer simulation Mark Abraham
[gmx-users] puzzled about hydration free energy of Toluene Mark Abraham
[gmx-users] Ensuring of periodicity in bilayer simulation Hideya Nakamura
[gmx-users] Ensuring of periodicity in bilayer simulation Justin A. Lemkul
[gmx-users] mdrun running without simulating new steps st
[gmx-users] mdrun running without simulating new steps Justin A. Lemkul
[gmx-users] Determining surface charge of a molecule Lili Peng
[gmx-users] Determining surface charge of a molecule Mark Abraham
[gmx-users] parameters for salicylate maria goranovic
[gmx-users] MPI on Windows George Tsigaridas
[gmx-users] t_trxframe speed units aherz
[gmx-users] Re: MPI on Windows Vitaly V. Chaban
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] Re: MPI on Windows George Tsigaridas
[gmx-users] t_trxframe speed units aherz
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] t_trxframe speed units aherz
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] t_trxframe speed units aherz
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] MPI on Windows Mark Abraham
[gmx-users] t_trxframe speed units aherz
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center maria goranovic
[gmx-users] Gromacs 4.0.4 - Pull.pdo File V Hariharan
[gmx-users] Gromacs 4.0.4 - Pull.pdo File Berk Hess
[gmx-users] t_trxframe speed units aherz
[gmx-users] Gromacs 4.0.4 - Pull.pdo File aherz
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center Justin A. Lemkul
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center XAvier Periole
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center maria goranovic
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center Berk Hess
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center maria goranovic
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center XAvier Periole
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center maria goranovic
[gmx-users] Questions about g_sham options Suman Chakrabarty
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center Berk Hess
[gmx-users] Installation of 4.0.5 on Cray XD1- gmxtest Dean Cuebas
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center maria goranovic
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center Berk Hess
[gmx-users] Questions about g_sham options David van der Spoel
[gmx-users] Gromacs 4.0.4 - Pull.pdo File V Hariharan
[gmx-users] Gromacs 4.0.4 - Pull.pdo File Berk Hess
[gmx-users] Determining surface charge of a molecule Lili Peng
[gmx-users] problem with nanotubes and vitamin simulation Naga Rajesh Tummala
[gmx-users] Questions about g_sham options Suman Chakrabarty
[gmx-users] Questions about g_sham options David van der Spoel
[gmx-users] MPI on Windows George Tsigaridas
[gmx-users] MPI on Windows Justin A. Lemkul
[gmx-users] Determining surface charge of a molecule Mark Abraham
[gmx-users] Installation of 4.0.5 on Cray XD1- gmxtest Mark Abraham
[gmx-users] angle dependent rdf Suman Chakrabarty
[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] ERROR: invalid enum 'xy' for variable pbc, using 'xyz' Darrell Koskinen
[gmx-users] ERROR: invalid enum 'xy' for variable pbc, using 'xyz' Mark Abraham
[gmx-users] Scaling problems in 8-cores nodes with GROMACS 4.0x Berk Hess
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center maria goranovic
[gmx-users] Martini simulation problem in recentering trajectory so that the bilayer is at the center Berk Hess
[gmx-users] msd Yelash, Dr. Leonid
[gmx-users] GROMACS in Windows Command Prompt George Tsigaridas
[gmx-users] GROMACS in Windows Command Prompt Mark Abraham
[gmx-users] msd Berk Hess
[gmx-users] GROMACS in Windows Command Prompt George Tsigaridas
[gmx-users] t_trxframe speed units aherz
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] mdrun running without simulating new steps yan gao
[gmx-users] g77 error in martini sunny mishra
[gmx-users] g77 error in martini Justin A. Lemkul
[gmx-users] Problems with GROMAC/CPMD jorge_quintero at ciencias.uis.edu.co
[gmx-users] Problem with NPT equilibration Bing Bing
[gmx-users] Can 3.3.3 and 4.0.5 version exist at the same time? Chih-Ying Lin
[gmx-users] Problem with NPT equilibration Mark Abraham
[gmx-users] Can 3.3.3 and 4.0.5 version exist at the same time? Mark Abraham
[gmx-users] Bad water sampling ? => A charge group moved too far between two domain decomposition steps ??? Chih-Ying Lin
[gmx-users] Bad water sampling ? => A charge group moved too far between two domain decomposition steps ??? Mark Abraham
[gmx-users] Minimisation - particle decomposition Chih-Ying Lin
[gmx-users] The same lysozyme.pdb file under 3.3.3 and 4.0.5 version Chih-Ying Lin
[gmx-users] The same lysozyme.pdb file under 3.3.3 and 4.0.5 version Mark Abraham
[gmx-users] Minimisation - particle decomposition Mark Abraham
[gmx-users] Scaling problems in 8-cores nodes with GROMACS 4.0x Erik Lindahl
[gmx-users] analysis of membrane protein Samik Bhattacharya
[gmx-users] t_trxframe speed units aherz
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] analysis of membrane protein Justin A. Lemkul
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] question about PME Alexey Odinokov
[gmx-users] t_trxframe speed units aherz
[gmx-users] question about PME Berk Hess
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] t_trxframe speed units aherz
[gmx-users] Re: RE: question about PME Alexey Odinokov
[gmx-users] adding multi-residue molecules in solution milad ekramnia
[gmx-users] adding multi-residue molecules in solution Justin A. Lemkul
[gmx-users] Re: RE: question about PME Berk Hess
[gmx-users] t_trxframe speed units Berk Hess
[gmx-users] t_trxframe speed units aherz
[gmx-users] hi questions about installing GROMACS Amit Choubey
[gmx-users] hi questions about installing GROMACS Justin A. Lemkul
[gmx-users] fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group Nilesh Dhumal
[gmx-users] Re: hi questions about installing GROMACS Vitaly V. Chaban
[gmx-users] fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group Justin A. Lemkul
[gmx-users] Re: hi questions about installing GROMACS Amit Choubey
[gmx-users] fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group Nilesh Dhumal
[gmx-users] fatal error: 1 particles communicated to PME node 1 are more than a cell length out of the do main decomposition cell of their charge group Justin A. Lemkul
[gmx-users] Re: wierd behavior of mdrun Paymon Pirzadeh
[gmx-users] Re: wierd behavior of mdrun Justin A. Lemkul
[gmx-users] adding multi-residue molecules in solution Mark Abraham
[gmx-users] Re: wierd behavior of mdrun Mark Abraham
[gmx-users] PMF and pull with membrane helix Ragnarok sdf
[gmx-users] grompp error in peptide-membrane simulations afsaneh maleki
[gmx-users] grompp error in peptide-membrane simulations Justin A. Lemkul
[gmx-users] PMF and pull with membrane helix XAvier Periole
[gmx-users] Re: DMF topology file Vitaly V. Chaban
{Spam?} Re: [gmx-users] Re: wierd behavior of mdrun Payman Pirzadeh
[gmx-users] Re: PMF and pull with membrane helix Ragnarok sdf
[gmx-users] Windows installation Bill Maier
[gmx-users] Windows installation Justin A. Lemkul
[gmx-users] Re: PMF and pull with membrane helix XAvier Periole
[gmx-users] Windows installation Bill Maier
[gmx-users] Query regarding Phosphate parameters nikhil damle
[gmx-users] protein-dna interaction shahab shariati
[gmx-users] protein-dna interaction Mark Abraham
[gmx-users] using SETTLE for constraints Dmitri Dubov
[gmx-users] using SETTLE for constraints Mark Abraham
[gmx-users] Query regarding phosphothreonine parameters nikhil damle
[gmx-users] using SETTLE for constraints Berk Hess
[gmx-users] Query regarding phosphothreonine parameters Justin A. Lemkul
[gmx-users] Query regarding phosphothreonine parameters nikhil damle
[gmx-users] Query regarding phosphothreonine parameters Justin A. Lemkul
[gmx-users] using SETTLE for constraints Dmitri Dubov
[gmx-users] Topologies for ffamber99 and ions for ffamber99 tanos at ime.eb.br
[gmx-users] ligand energy calculation PME simulation Antonio Coluccia
[gmx-users] Topologies for ffamber99 and ions for ffamber99 Justin A. Lemkul
[gmx-users] Installing gromacs on Windows Vista Bill Maier
[gmx-users] printing to edr in source code Inon Sharony
[gmx-users] Making itp files mail-vtanchuk
[gmx-users] non isotropic kinetic energy aherz
[gmx-users] non isotropic kinetic energy David van der Spoel
[gmx-users] weird mdrun...using gromacs 3.3.3 Naga Rajesh Tummala
[gmx-users] Making itp files Justin A. Lemkul
[gmx-users] template.c Chih-Ying Lin
[gmx-users] weird mdrun...using gromacs 3.3.3 Mark Abraham
[gmx-users] template.c Mark Abraham
[gmx-users] ligand energy calculation PME simulation Mark Abraham
[gmx-users] weird mdrun...using gromacs 3.3.3 Naga Rajesh Tummala
[gmx-users] weird mdrun...using gromacs 3.3.3 Mark Abraham
[gmx-users] weird mdrun...using gromacs 3.3.3 Naga Rajesh Tummala
[gmx-users] ligand energy calculation PME simulation Berk Hess
[gmx-users] long range restrain Mu Yuguang (Dr)
[gmx-users] weird mdrun...using gromacs 3.3.3 Justin A. Lemkul
[gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature Yasuyuki Araki
[gmx-users] potential energy NaN and strange dependence on cut-offs Jennifer Williams
[gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature Mark Abraham
[gmx-users] potential energy NaN and strange dependence on cut-offs Mark Abraham
[gmx-users] weird mdrun...using gromacs 3.3.3 Naga Rajesh Tummala
[gmx-users] weird mdrun...using gromacs 3.3.3 Justin A. Lemkul
[gmx-users] potential energy NaN and strange dependence on cut-offs Manik Mayur
[gmx-users] weird mdrun...using gromacs 3.3.3 Naga Rajesh Tummala
[gmx-users] potential energy NaN and strange dependence on cut-offs David van der Spoel
[gmx-users] weird mdrun...using gromacs 3.3.3 Justin A. Lemkul
[gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature Jussi Lehtola
[gmx-users] (Без темы) Andrew Voronkov
{Spam?} Re: [gmx-users] Re: wierd behavior of mdrun Paymon Pirzadeh
{Spam?} Re: [gmx-users] Re: wierd behavior of mdrun Justin A. Lemkul
[gmx-users] weird mdrun...using gromacs 3.3.3 Naga Rajesh Tummala
[gmx-users] how to use a new force field Amit Choubey
[gmx-users] how to use a new force field Justin A. Lemkul
[gmx-users] do_dssp question Kirill Bessonov
[gmx-users] do_dssp question Justin A. Lemkul
[gmx-users] selecting two groups for average structure David Crosby
[gmx-users] selecting two groups for average structure Justin A. Lemkul
[gmx-users] how to use a new force field Amit Choubey
[gmx-users] how to use a new force field Dallas B. Warren
[gmx-users] how to use a new force field Justin A. Lemkul
[gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature Yasuyuki Araki
[gmx-users] how to use a new force field Amit Choubey
[gmx-users] how to use a new force field Amit Choubey
[gmx-users] how to use a new force field Justin A. Lemkul
[gmx-users] Using gromacs 4.0.5 built with FORTIFY_SOURCE feature Yasuyuki Araki
[gmx-users] how to use a new force field Amit Choubey
[gmx-users] (??? ????) Mark Abraham
[gmx-users] Error estimation from FEP Ragnarok sdf
[gmx-users] how to use a new force field Tsjerk Wassenaar
[gmx-users] 1-4 interaction warning David Wright
[gmx-users] 1-4 interaction warning Mark Abraham
[gmx-users] Keeping PBC during minimization Francesco Rao
[gmx-users] Keeping PBC during minimization Justin A. Lemkul
[gmx-users] Question about the Marrink's CG model Li Yang
[gmx-users] Errors in constraint pulling Hideya Nakamura
[gmx-users] mdrun running without simulating new steps st
[gmx-users] mdrun running without simulating new steps Justin A. Lemkul
[gmx-users] bypassing pdb2gmx Amit Choubey
[gmx-users] Re: bypassing pdb2gmx Amit Choubey
[gmx-users] bypassing pdb2gmx Justin A. Lemkul
[gmx-users] bypassing pdb2gmx 吴鹏
[gmx-users] bypassing pdb2gmx Mark Abraham
[gmx-users] bypassing pdb2gmx Manik Mayur
[gmx-users] bypassing pdb2gmx Berk Hess
[gmx-users] Errors in constraint pulling Berk Hess
[gmx-users] error:g_hbond swatik at ncbs.res.in
[gmx-users] bypassing pdb2gmx Tsjerk Wassenaar
[gmx-users] DMF topology Abhishek Banerjee
[gmx-users] DMF topology Justin A. Lemkul
[gmx-users] Error estimation from FEP Ragnarok sdf
[gmx-users] Fatal error: The box size in direction X (1.799866) times the triclinic skew factor (1.000000) is too small for a cut-off of 0.900000 with 2 domain decomposition cells, use 1 or more than 2 processors or increase the box size in this direction Nilesh Dhumal
[gmx-users] Fatal error: The box size in direction X (1.799866) times the triclinic skew factor (1.000000) is too small for a cut-off of 0.900000 with 2 domain decomposition cells, use 1 or more than 2 processors or increase the box size in this direction Justin A. Lemkul
[gmx-users] large scaling required to acheive optimal mesh load Jennifer Williams
[gmx-users] How to edit the cgnr and charge fields of a ITP file with the result of Gaussian? Liao Chuan
[gmx-users] (no subject) rsf
[gmx-users] non isotropic kinetic energy aherz
[gmx-users] EVB and mapping potentials rsf
[gmx-users] Re: bypassing pdb2gmx Justin A. Lemkul
[gmx-users] Add acetyl and amide caps to a peptide with pdb2gmx Stephane Abel
[gmx-users] Add a amide and acetylated caps to a peptide with pdb2gmx Stephane Abel
[gmx-users] Errors in constraint pulling Hideya Nakamura
[gmx-users] g_wham error Ragnarok sdf
[gmx-users] pdb2gmx question Amit Choubey
[gmx-users] large scaling required to acheive optimal mesh load Berk Hess
[gmx-users] non isotropic kinetic energy Berk Hess
[gmx-users] pdb2gmx question Mark Abraham
[gmx-users] density and intramolecular interactions Alexey Odinokov
[gmx-users] Re: bypassing pdb2gmx Amit Choubey
[gmx-users] Re: How to edit the cgnr and charge fields of a ITP, file with the result of Gaussian? Thomas Schlesier
[gmx-users] g_wham error Justin A. Lemkul
[gmx-users] How to edit the cgnr and charge fields of a ITP file with the result of Gaussian? Justin A. Lemkul
[gmx-users] Add acetyl and amide caps to a peptide with pdb2gmx Justin A. Lemkul
[gmx-users] problems running REMD on grids Anna Marabotti
[gmx-users] How to edit the cgnr and charge fields of a ITP file with the result of Gaussian? Mark Abraham
[gmx-users] density and intramolecular interactions Mark Abraham
[gmx-users] Re: Add acetyl and amide caps to a peptide with pdb2gmx Stephane Abel
[gmx-users] Request: Gromacs on HPC podcast Brock Palen
[gmx-users] p0_22967: p4_error: interrupt SIGSEGV: 11 Nilesh Dhumal
[gmx-users] Re: gmx-users Digest, Vol 65, Issue 65 Ragnarok sdf
[gmx-users] p0_22967: p4_error: interrupt SIGSEGV: 11 Justin A. Lemkul
[gmx-users] g_wham error Justin A. Lemkul
[gmx-users] HA atom not recognised by gromacs jayalakshmi sridhar
[gmx-users] Re: gmx-users Digest, Vol 65, Issue 65 Nilesh Dhumal
[gmx-users] Re: gmx-users Digest, Vol 65, Issue 65 Justin A. Lemkul
[gmx-users] HA atom not recognised by gromacs Justin A. Lemkul
[gmx-users] R: problems running REMD on grids Anna Marabotti
[gmx-users] HA atom not recognised by gromacs jayalakshmi sridhar
[gmx-users] R: problems running REMD on grids Mark Abraham
[gmx-users] Problems with metals GROMACS/CPMD jorge_quintero at ciencias.uis.edu.co
[gmx-users] HA atom not recognised by gromacs Mark Abraham
[gmx-users] R: problems running REMD on grids Berk Hess
[gmx-users] g_wham error Ragnarok sdf
[gmx-users] R: problems running REMD on grids Justin A. Lemkul
[gmx-users] template.c => put the GROMACS headers in the same file ? Chih-Ying Lin
[gmx-users] template.c => put the GROMACS headers in the same file ? Mark Abraham
[gmx-users] template.c => put the GROMACS headers in the same file ? Justin A. Lemkul
[gmx-users] Radius of gyration Johnny Lam
[gmx-users] Radius of gyration Justin A. Lemkul
[gmx-users] Radius of gyration David van der Spoel
[gmx-users] Invitation to connect on LinkedIn Manik Mayur
[gmx-users] Energy mimimization in AcOH box Aditi Borkar
[gmx-users] System has non-zero total charge: 1.999878e+00 zakiya
[gmx-users] problems running REMD on grids XAvier Periole
[gmx-users] System has non-zero total charge: 1.999878e+00 Mark Abraham
[gmx-users] Energy mimimization in AcOH box Justin A. Lemkul
[gmx-users] Energy mimimization in AcOH box Aditi Borkar
[gmx-users] Energy mimimization in AcOH box Justin A. Lemkul
[gmx-users] template.c Chih-Ying Lin
[gmx-users] System has non-zero total charge: 2.570000e+00 najwa drici
[gmx-users] template.c Justin A. Lemkul
[gmx-users] System has non-zero total charge: 2.570000e+00 Justin A. Lemkul
[gmx-users] help with periodic boundary conditions Jarol E. Molina
[gmx-users] help with periodic boundary conditions Justin A. Lemkul
[gmx-users] System has non-zero total charge: 2.570000e+00 Itamar Kass
[gmx-users] System has non-zero total charge: 2.570000e+00 Justin A. Lemkul
[gmx-users] Re: System has non-zero total charge: 2.570000e+00 Vitaly V. Chaban
[gmx-users] Re: System has non-zero total charge: 2.570000e+00 Tsjerk Wassenaar
[gmx-users] Re: System has non-zero total charge: 2.570000e+00 Vitaly V. Chaban
[gmx-users] g-hbond problem YH
[gmx-users] g-hbond problem Mark Abraham
[gmx-users] g_wham error Ragnarok sdf
[gmx-users] g_hbond Issues Anil Kumar
[gmx-users] g_hbond Issues Mark Abraham
[gmx-users] g_hbond Issues Anil Kumar
[gmx-users] g_hbond Issues Justin A. Lemkul
[gmx-users] How to complie gromacs on sgi Altix450? 石子枫
[gmx-users] gromacs source 刘文
[gmx-users] Problem with multiple Urea molecule position restraining. karan syal
[gmx-users] Problem with multiple Urea molecule position restraining. Mark Abraham
[gmx-users] How to complie gromacs on sgi Altix450? Jan Jakubik
[gmx-users] Question about the Marrink's CG model XAvier Periole
[gmx-users] How to complie gromacs on sgi Altix450? Martin Hoefling
[gmx-users] Re: problems running REMD on grids Anna Marabotti
[gmx-users] Re: problems running REMD on grids Mark Abraham
[gmx-users] Gromacs4.x/CPMD interfaces Latévi Max LAWSON DAKU
[gmx-users] g_wham error Jochen Hub
[gmx-users] Re. Re: How to complie gromacs on sgi Altix450? (Martin Hoefling) 石子枫
[gmx-users] Re. Re: How to complie gromacs on sgi Altix450? (Martin Hoefling) Martin Höfling
[gmx-users] Re. Re: How to complie gromacs on sgi Altix450? (Martin Hoefling) Mark Abraham
[gmx-users] Continuation a run with checkpoint issue Stephane Abel
[gmx-users] Mailing list and multiplicity Peyman Yamin
[gmx-users] Mailing list and multiplicity Mark Abraham
[gmx-users] Mailing list and multiplicity Justin A. Lemkul
[gmx-users] non isotropic kinetic energy aherz
[gmx-users] non isotropic kinetic energy Berk Hess
[gmx-users] Continuation a run with checkpoint issue Justin A. Lemkul
[gmx-users] Continuation a run with checkpoint issue Berk Hess
[gmx-users] Limit mdrun runtime Jack Shultz
[gmx-users] Limit mdrun runtime Justin A. Lemkul
[gmx-users] Limit mdrun runtime Berk Hess
[gmx-users] EVB and mapping potentials rsf
[gmx-users] Limit mdrun runtime Jack Shultz
[gmx-users] Limit mdrun runtime Jack Shultz
[gmx-users] RE: evb and mapping potentials ggroenh at gwdg.de
[gmx-users] Re: Re: g_wham error Ragnarok sdf
[gmx-users] non isotropic kinetic energy aherz
[gmx-users] RE: evb and mapping potentials rsf
[gmx-users] protein not centered in solvent box jayalakshmi sridhar
[gmx-users] protein not centered in solvent box Mark Abraham
[gmx-users] protein not centered in solvent box jayalakshmi sridhar
[gmx-users] protein not centered in solvent box Justin A. Lemkul
[gmx-users] protein not centered in solvent box Mark Abraham
[gmx-users] protein not centered in solvent box jayalakshmi sridhar
[gmx-users] Multiple constraints possible? BAN,YOUNG MIN
[gmx-users] hydrogen on N (OPLS_241), zero sigma and epsilon st
[gmx-users] hydrogen on N (OPLS_241), zero sigma and epsilon Justin A. Lemkul
[gmx-users] Multiple constraints possible? Mark Abraham
[gmx-users] negative eigenvalues occured and not "nearly zero" Mark Abraham
[gmx-users] non isotropic kinetic energy Berk Hess
[gmx-users] the problem about the calculation free energy of the toluene in water Jinyao Wang
[gmx-users] non isotropic kinetic energy herz
[gmx-users] simulation box size Aditi Borkar
[gmx-users] non isotropic kinetic energy David van der Spoel
[gmx-users] non isotropic kinetic energy herz
[gmx-users] non isotropic kinetic energy David van der Spoel
[gmx-users] the problem about the calculation free energy of the toluene in water Justin A. Lemkul
[gmx-users] simulation box size Justin A. Lemkul
[gmx-users] non isotropic kinetic energy Berk Hess
[gmx-users] non isotropic kinetic energy herz
[gmx-users] non isotropic kinetic energy herz
[gmx-users] non isotropic kinetic energy David van der Spoel
[gmx-users] help with gmx C source code Inon Sharony
[gmx-users] non isotropic kinetic energy Berk Hess
[gmx-users] read_eigenvectors not in libgmxana Jochen Hub
[gmx-users] Core i7 vs Core2Quad Antoine FORTUNE
[gmx-users] question about using new potential in groamcs 青叶
[gmx-users] Re:Re: How to complie gromacs on sgi Altix450? 石子枫
[gmx-users] Re:Re: How to complie gromacs on sgi Altix450? Carsten Kutzner
[gmx-users] Re:Re: How to complie gromacs on sgi Altix450? Mark Abraham
[gmx-users] non isotropic kinetic energy herz
[gmx-users] question about using new potential in groamcs Mark Abraham
[gmx-users] non isotropic kinetic energy Berk Hess
[gmx-users] question about using new potential in groamcs Berk Hess
[gmx-users] help with gmx C source code Mark Abraham
[gmx-users] Core i7 vs Core2Quad Berk Hess
[gmx-users] read_eigenvectors not in libgmxana David van der Spoel
[gmx-users] G96 bond, angle and dihedral types for unusual covalent linkages jayalakshmi sridhar
[gmx-users] hydrogen on N (OPLS_241), zero sigma and epsilon st
[gmx-users] FEP error estimative Ragnarok sdf
[gmx-users] pdb2gmx with amber99 can't find an atom in a DNA duplex Gunnar Widtfeldt Reginsson
[gmx-users] pdb2gmx with amber99 can't find an atom in a DNA duplex Justin A. Lemkul
[gmx-users] gromacs simulation Enamul Haque
[gmx-users] gromacs simulation Justin A. Lemkul
[gmx-users] Re:Re: Re:Re: How to complie gromacs on sgi Altix450? 石子枫
[gmx-users] Re:Re: Re:Re: How to complie gromacs on sgi Altix450? Justin A. Lemkul
[gmx-users] mpi version of gromacs Amit Choubey
[gmx-users] mpi version of gromacs Justin A. Lemkul
[gmx-users] G96 bond, angle and dihedral types for unusual covalent linkages Dallas B. Warren
[gmx-users] mpi version of gromacs Amit Choubey
[gmx-users] mpi version of gromacs Justin A. Lemkul
[gmx-users] Re: Re:Re: Re:Re: How to complie gromacs on sgi Altix450? 石子枫
[gmx-users] Re: Re:Re: Re:Re: How to complie gromacs on sgi Altix450? Justin A. Lemkul
[gmx-users] compiling problem Mu Yuguang (Dr)
[gmx-users] compiling problem Yang Ye
[gmx-users] compiling problem Mark Abraham
[gmx-users] Large fluctuation of protein temperature with nose hoover thermostat Stephane Abel
[gmx-users] some questions about the tabulated interaction functions wuxiao
[gmx-users] compiling problem Mu Yuguang (Dr)
[gmx-users] about intermolecular interactions wuxiao
[gmx-users] msd not linear and c.o.m removal Jennifer Williams
[gmx-users] parallel mdrun Jarol E. Molina
[gmx-users] pdb2gmx with amber99 can't find an atom in a DNA duplex Gunnar Widtfeldt Reginsson
[gmx-users] Generating initial coordinates and velocities from scratch. Lum Ngwagia
[gmx-users] Another problem with DNA Gunnar Widtfeldt Reginsson
[gmx-users] Core i7 vs Core2Quad Sander Pronk
[gmx-users] 3 covalent bonds protein- heme malvezzi at iq.usp.br
[gmx-users] compiling problem Yang Ye
[gmx-users] Unit of RMSD of g_energy -f -f2 Ragnarok sdf
[gmx-users] some questions about the tabulated interaction functions Mark Abraham
[gmx-users] Large fluctuation of protein temperature with nose hoover thermostat Omer Markovitch
[gmx-users] Periodic Boundary Conditions & Location of Atoms Near Box Edges Darrell Koskinen
[gmx-users] about intermolecular interactions Justin A. Lemkul
[gmx-users] parallel mdrun Sander Pronk
[gmx-users] parallel mdrun Justin A. Lemkul
[gmx-users] [Fwd: free energy calculation] David van der Spoel
[gmx-users] Another problem with DNA Justin A. Lemkul
[gmx-users] Another problem with DNA Mark Abraham
[gmx-users] Generating initial coordinates and velocities from scratch. Justin A. Lemkul
[gmx-users] Re: 3 covalent bonds protein- heme (malvezzi at iq.usp.br) Gerrit Groenhof
[gmx-users] Core i7 vs Core2Quad Berk Hess
[gmx-users] Re: 3 covalent bonds protein- heme Thomas Schlesier
[gmx-users] Periodic Boundary Conditions & Location of Atoms Near Box Edges Tsjerk Wassenaar
[gmx-users] Re: Generating initial coordinates and velocities from scratch Thomas Schlesier
[gmx-users] Large fluctuation of protein temperature with nose hoover thermostat ABEL Stephane 175950
[gmx-users] Inflategro ram bio
[gmx-users] Inflategro Justin A. Lemkul
[gmx-users] free energy problem Elio Cino
[gmx-users] Inflategro Pramod Akula
[gmx-users] GMX 4.0.5 on Altix 3700 BX2: Assembly Optimizations fixed? Steve Cousins
[gmx-users] GMX 4.0.5 on Altix 3700 BX2: Assembly Optimizations fixed? Carsten Kutzner
[gmx-users] about intermolecular interactions Manik Mayur
[gmx-users] (no subject) rsf
[gmx-users] generation of kernels aherz
[gmx-users] generation of kernels aherz
[gmx-users] GMX 4.0.5 on Altix 3700 BX2: Assembly Optimizations fixed? Steve Cousins
[gmx-users] GMX 4.0.5 on Altix 3700 BX2: Assembly Optimizations fixed? David van der Spoel
[gmx-users] ISO-8859-1?Q? fixed=3F?= Steve Cousins
[gmx-users] Unit of RMSD of g_energy -f -f2 Mark Abraham
[gmx-users] butane-parameters rversace at ccny.cuny.edu
[gmx-users] butane-parameters Justin A. Lemkul
[gmx-users] Force output from Distance Constraint on pair of Cations Joshua D Monk
[gmx-users] SHAKE and LINCS Ricardo O. S. Soares
[gmx-users] Re: Another problem with DNA Gunnar Widtfeldt Reginsson
[gmx-users] SHAKE and LINCS Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 65, Issue 104 Ragnarok sdf
[gmx-users] SHAKE and LINCS Mark Abraham
[gmx-users] analyzing gromacs trajectories on VMD Amit Choubey
[gmx-users] Gromacs using MKL with Intel 11.1 compilers Steve Cousins
[gmx-users] analyzing gromacs trajectories on VMD Justin A. Lemkul
[gmx-users] Gromacs using MKL with Intel 11.1 compilers Mark Abraham
[gmx-users] merging simulation boxes Paymon Pirzadeh
[gmx-users] merging simulation boxes Mark Abraham
[gmx-users] merging simulation boxes Paymon Pirzadeh
SV: SV: SV: [gmx-users] g_order version 4.0.x Justin A. Lemkul
[gmx-users] merging simulation boxes Mark Abraham
[gmx-users] merging simulation boxes Justin A. Lemkul
[gmx-users] analyzing gromacs trajectories on VMD TJ Piggot
[gmx-users] question about chain identifier Amit Choubey
[gmx-users] Can Gromacs produce the data from NMR? Chih-Ying Lin
[gmx-users] Gromacs using MKL with Intel 11.1 compilers Vasilii Artyukhov
[gmx-users] Can Gromacs produce the data from NMR? Mark Abraham
[gmx-users] question about chain identifier Berk Hess
[gmx-users] Can Gromacs produce the data from NMR? Berk Hess
[gmx-users] Gromacs using MKL with Intel 11.1 compilers Berk Hess
[gmx-users] free energy problem Berk Hess
[gmx-users] editconf and g_rmsdist Enemark Soeren
[gmx-users] Can Gromacs produce the data from NMR? Tsjerk Wassenaar
[gmx-users] editconf and g_rmsdist Tsjerk Wassenaar
[gmx-users] Re: problems running REMD on grids Anna Marabotti
[gmx-users] Gromacs using MKL with Intel 11.1 compilers Steve Cousins
[gmx-users] potential energy rams rams
[gmx-users] potential energy Justin A. Lemkul
[gmx-users] Re: problems running REMD on grids Mark Abraham
[gmx-users] potential energy Mark Abraham
[gmx-users] Free energy problem Elio Cino
[gmx-users] autocorrelation function using g_analyze Sung Hyun Park
[gmx-users] xyz2pdb Fortran File Christopher Rowan
[gmx-users] pdb2gmx bug? Gard Nelson
[gmx-users] g_msd ? Chih-Ying Lin
[gmx-users] Problems with metals GROMACS/CPMD Pradip Biswas
[gmx-users] dssp programm subarna thakur
[gmx-users] PMF of helix dimer Ragnarok sdf
[gmx-users] Problems with DNA simulation Gunnar Widtfeldt Reginsson
[gmx-users] No default Angle types Darrell Koskinen
[gmx-users] spacing distance in tabulated angle interaction function wuxiao
[gmx-users] autocorrelation function using g_analyze Mark Abraham
[gmx-users] g_msd ? Justin A. Lemkul
[gmx-users] dssp programm Justin A. Lemkul
[gmx-users] Problems with DNA simulation Justin A. Lemkul
[gmx-users] Gromacs site down? Latévi Max LAWSON DAKU
[gmx-users] Gromacs site down? David van der Spoel
[gmx-users] Importing a trajectory Latévi Max LAWSON DAKU
[gmx-users] Gromacs site down? Latévi Max LAWSON DAKU
[gmx-users] Re: autocorrelation function using g_analyze Sung Hyun Park
[gmx-users] molecule index Jamie Seyed
[gmx-users] Re: autocorrelation function using g_analyze Justin A. Lemkul
[gmx-users] who can help me with the force-field? xiao shijun
[gmx-users] Missing Residues sunny mishra
[gmx-users] Missing Residues Justin A. Lemkul
[gmx-users] molecule index Mark Abraham
[gmx-users] who can help me with the force-field? Mark Abraham
[gmx-users] Re: autocorrelation function using g_analyze Mark Abraham
[gmx-users] spacing distance in tabulated angle interaction function Mark Abraham
[gmx-users] No default Angle types Mark Abraham
[gmx-users] pdb2gmx bug? Mark Abraham
[gmx-users] Problem with grompp , ffamber99 and ions Gunnar Widtfeldt Reginsson
[gmx-users] Problem with grompp , ffamber99 and ions Mark Abraham
[gmx-users] molecule index Jamie Seyed
[gmx-users] Problem with grompp , ffamber99 and ions Justin A. Lemkul
[gmx-users] molecule index Mark Abraham
[gmx-users] molecule index Jamie Seyed
[gmx-users] molecule index Justin A. Lemkul
[gmx-users] umbrella potential Stefan Hoorman
[gmx-users] umbrella potential Justin A. Lemkul
[gmx-users] molecule index Jamie Seyed
[gmx-users] molecule index Justin A. Lemkul
[gmx-users] Re: umbrella potential Stefan Hoorman
[gmx-users] using 'genbox' for adding solvent Amit Choubey
[gmx-users] Re: umbrella potential Justin A. Lemkul
[gmx-users] using 'genbox' for adding solvent Justin A. Lemkul
[gmx-users] using 'genbox' for adding solvent Amit Choubey
[gmx-users] Re: Re: umbrella potential Stefan Hoorman
[gmx-users] using 'genbox' for adding solvent Justin A. Lemkul
[gmx-users] using 'genbox' for adding solvent Amit Choubey
[gmx-users] errors due to genbox wuxiao
[gmx-users] errors due to genbox Mark Abraham
[gmx-users] Re: who can help me with the force-field? xiao shijun
[gmx-users] Re: who can help me with the force-field? Mark Abraham
[gmx-users] Re: errors due to genbox (Mark Abraham) wuxiao
[gmx-users] 1-4 interaction between atoms in PBC mode Darrell Koskinen
[gmx-users] 1-4 interaction between atoms in PBC mode Mark Abraham
[gmx-users] Re: Re: problems running REMD on grids Anna Marabotti
[gmx-users] 1-4 interaction between atoms in PBC mode Omer Markovitch
[gmx-users] umbrella potential Berk Hess
[gmx-users] Re: Re: problems running REMD on grids Berk Hess
[gmx-users] Problems with DNA simulation Gunnar Widtfeldt Reginsson
[gmx-users] question about the implicit walls Baofu Qiao
[gmx-users] question about the implicit walls Berk Hess
[gmx-users] UREA + Protein Simulation error. karan syal
[gmx-users] Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] UREA + Protein Simulation error. Justin A. Lemkul
[gmx-users] scalar correlation matrix sheerychen
[gmx-users] scalar correlation matrix Ran Friedman
[gmx-users] direction_periodic aherz
[gmx-users] direction_periodic Berk Hess
[gmx-users] direction_periodic aherz
[gmx-users] direction_periodic Berk Hess
[gmx-users] problems trying to run gmx with the size of $PATH Alan
[gmx-users] problems trying to run gmx with the size of $PATH Berk Hess
[gmx-users] question about the implicit walls Baofu Qiao
[gmx-users] question about the implicit walls Berk Hess
[gmx-users] Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] RE: problems trying to run gmx with the size of $PATH Alan
[gmx-users] direction_periodic aherz
[gmx-users] Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] direction_periodic Berk Hess
[gmx-users] UREA + Protein Simulation error. karan syal
[gmx-users] UREA + Protein Simulation error. Justin A. Lemkul
[gmx-users] Re: Re: Re: autocorrelation function using g_analyze Sung Hyun Park
[gmx-users] UREA + Protein Simulation error. David van der Spoel
[gmx-users] Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: autocorrelation function using g_analyze Sung Hyun Park
[gmx-users] Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] msd Dr. Leonid Yelash
[gmx-users] gromacs on podcast Brock Palen
[gmx-users] gromacs on podcast David van der Spoel
[gmx-users] gromacs on podcast Brock Palen
[gmx-users] Problem with grompp , ffamber99 and ions Gunnar Widtfeldt Reginsson
[gmx-users] Re: Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] gr daniel luis
[gmx-users] Re: 1-4 interaction between atoms in PBC mode Darrell Koskinen
[gmx-users] 1-4 interaction between atoms in PBC mode Darrell Koskinen
[gmx-users] 1-4 interaction between atoms in PBC mode Mark Abraham
[gmx-users] imprper dihedrals Vitaly V. Chaban
[gmx-users] imprper dihedrals Mark Abraham
[gmx-users] UREA + Protein Simulation error. karan syal
[gmx-users] 1-4 interaction between atoms in PBC mode Darrell Koskinen
[gmx-users] n2t files in gromacs Vitaly V. Chaban
[gmx-users] 1-4 interaction between atoms in PBC mode Mark Abraham
[gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential Thomas Schlesier
[gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential Berk Hess
[gmx-users] n2t files in gromacs Justin A. Lemkul
[gmx-users] 1-4 interaction between atoms in PBC mode Justin A. Lemkul
[gmx-users] Simulations with solvent shell Aditi Borkar
[gmx-users] Simulations with solvent shell Justin A. Lemkul
[gmx-users] Simulations with solvent shell Mark Abraham
[gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] Simulations with solvent shell Aditi Borkar
[gmx-users] Simulations with solvent shell Justin A. Lemkul
[gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] nvt.gro ram bio
[gmx-users] nvt.gro Justin A. Lemkul
[gmx-users] nvt.gro ram bio
[gmx-users] Force constant conversion Nilesh Dhumal
[gmx-users] Force constant conversion David van der Spoel
[gmx-users] viscovity with a help of g_energy Vitaly V. Chaban
[gmx-users] how to save information even after stopping calculation Miguel Quiliano Meza
[gmx-users] how to save information even after stopping calculation Carsten Kutzner
[gmx-users] viscovity with a help of g_energy Justin A. Lemkul
[gmx-users] 1-4 interaction between atoms in PBC mode darrellk at ece.ubc.ca
[gmx-users] 1-4 interaction between atoms in PBC mode Justin A. Lemkul
[gmx-users] 1-4 interaction between atoms in PBC mode Justin A. Lemkul
[gmx-users] visualization tool for windows malvezzi at iq.usp.br
[gmx-users] visualization tool for windows Justin A. Lemkul
[gmx-users] visualization tool for windows Vasilii Artyukhov
[gmx-users] Simulations with solvent shell Mark Abraham
[gmx-users] all-bonds Enemark Soeren
[gmx-users] viscovity with a help of g_energy Vitaly V. Chaban
[gmx-users] Probelm of g_rms nikhil damle
[gmx-users] Probelm of g_rms Mark Abraham
[gmx-users] all-bonds Mark Abraham
[gmx-users] Re: gmx-users Digest, Vol 65, Issue 122 xiao shijun
[gmx-users] Re: gmx-users Digest, Vol 65, Issue 122 Mark Abraham
[gmx-users] Probelm of g_rms Justin A. Lemkul
[gmx-users] viscovity with a help of g_energy Justin A. Lemkul
[gmx-users] Improper dihedrals, which way is correct? Vitaly V. Chaban
[gmx-users] Regarding g_rms nikhil damle
[gmx-users] Re: help with gmx C source code Inon Sharony
[gmx-users] Improper dihedrals, which way is correct? Justin A. Lemkul
[gmx-users] About gromacs installation Enamul Haque
[gmx-users] Re: help with gmx C source code aherz
[gmx-users] About gromacs installation Carsten Kutzner
[gmx-users] Re: Improper dihedrals, which way is correct? Vitaly V. Chaban
[gmx-users] Re: Improper dihedrals, which way is correct? Justin A. Lemkul
[gmx-users] Re: Improper dihedrals, which way is correct? Vitaly V. Chaban
[gmx-users] Re: Improper dihedrals, which way is correct? Justin A. Lemkul
[gmx-users] all-bonds Enemark Soeren
[gmx-users] question about g_rdf lammps lammps
[gmx-users] Consecutive Simulations Jack Shultz
[gmx-users] Trajectory files in vmd Aditi Borkar
[gmx-users] Trajectory files in vmd Omer Markovitch
[gmx-users] Re: gmx-users Digest, Vol 65, Issue 83 6. EVB and mapping potentials (rsf) Gerrit Groenhof
[gmx-users] Trajectory files in vmd Aditi Borkar
[gmx-users] Re:FATAL error in GROMACS: z-size of the box‏() wuxiao
[gmx-users] nvt.gro ram bio
[gmx-users] editconf and g_rmsdist Enemark Soeren
[gmx-users] Tabulated potential - Problem albitauro at virgilio.it
[gmx-users] Consecutive Simulations Justin A. Lemkul
[gmx-users] nvt.gro Justin A. Lemkul
[gmx-users] nvt.gro Pramod Akula
[gmx-users] overlapping trajectories in multiple MD runs Lizhe Zhu
[gmx-users] Tabulated potential - Problem Berk Hess
[gmx-users] overlapping trajectories in multiple MD runs Justin A. Lemkul
[gmx-users] Trajectory files in vmd J. Rui Rodrigues
[gmx-users] Adsorption and nucleation of proteins on surfaces Agnese Zicari
[gmx-users] Adsorption and nucleation of proteins on surfaces Justin A. Lemkul
[gmx-users] Re: Re: help with gmx C source code Inon Sharony
[gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4 FLOR MARTINI
[gmx-users] Re: Re: help with gmx C source code Berk Hess
[gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4 Berk Hess
[gmx-users] Consecutive Simulations Jack Shultz
[gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4 FLOR MARTINI
[gmx-users] Re: Re: help with gmx C source code Mark Abraham
[gmx-users] dummy atoms in planar square Pt Rebeca García Fandiño
[gmx-users] timestep fraction complete Jack Shultz
[gmx-users] BUG in GROMACS 4.0.5, related to very log total integration time Daniel Adriano Silva M
[gmx-users] BUG in GROMACS 4.0.5, related to very log total integration time Mark Abraham
[gmx-users] timestep fraction complete Mark Abraham
[gmx-users] BUG in GROMACS 4.0.5, related to very log total integration time Daniel Adriano Silva M
[gmx-users] timestep fraction complete Jack Shultz
[gmx-users] timestep fraction complete Jack Shultz
[gmx-users] timestep fraction complete Mark Abraham
[gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] timestep fraction complete Jack Shultz
[gmx-users] Re: Re: Re: Re: Re: Re: Re: Re: umbrella potentia Stefan Hoorman
[gmx-users] Probelm of g_rms nikhil damle
[gmx-users] BUG in GROMACS 4.0.5, related to very log total integration time Berk Hess
[gmx-users] Probelm of g_rms Tsjerk Wassenaar
[gmx-users] Error while scaling mdrun for more number of nodes. vivek sharma
[gmx-users] Error while scaling mdrun for more number of nodes. Berk Hess
[gmx-users] Error while scaling mdrun for more number of nodes. vivek sharma
[gmx-users] Error while scaling mdrun for more number of nodes. Berk Hess
[gmx-users] Re: Re: Re: Re: Re: Re: Re: Re: umbrella potentia Justin A. Lemkul
[gmx-users] martini simulation problem with unsaturated lipid maria goranovic
[gmx-users] viscosity and acflen in g_energy Vitaly V. Chaban
[gmx-users] martini simulation problem with unsaturated lipid Berk Hess
[gmx-users] Static build Jack Shultz
R: RE: [gmx-users] Tabulated potential - Problem albitauro at virgilio.it
[gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4 Carsten Kutzner
R: RE: [gmx-users] Tabulated potential - Problem Berk Hess
[gmx-users] mdrun -x for REMD does not work jlenz
R: RE: R: RE: [gmx-users] Tabulated potential - Problem albitauro at virgilio.it
[gmx-users] mdrun -x for REMD does not work David van der Spoel
[gmx-users] PEO and OPLS-AA FF in gmx lammps lammps
[gmx-users] Problem with domain decomposition Stephane Abel
[gmx-users] PEO and OPLS-AA FF in gmx Justin A. Lemkul
[gmx-users] nvt.gro Justin A. Lemkul
[gmx-users] PEO and OPLS-AA FF in gmx FLOR MARTINI
[gmx-users] trying to get better performance in a Rocks cluster running GROMACS 4.0.4 FLOR MARTINI
[gmx-users] PEO and OPLS-AA FF in gmx Justin A. Lemkul
[gmx-users] Trajectory files in vmd Aditi Borkar
[gmx-users] 1-4 interactions Vitaly V. Chaban
[gmx-users] Trajectory files in vmd Justin A. Lemkul
[gmx-users] How does g_fg2cg work? wuxiao
[gmx-users] 1-4 interactions Andrew Paluch
[gmx-users] Bug in g_chi -p? Justin A. Lemkul
[gmx-users] computing dihedral given 4 atoms sandeep somani
[gmx-users] computing dihedral given 4 atoms Justin A. Lemkul
[gmx-users] computing dihedral given 4 atoms sandeep somani
[gmx-users] computing dihedral given 4 atoms sandeep somani
[gmx-users] Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] Static build Mark Abraham
[gmx-users] viscosity and acflen in g_energy Mark Abraham
[gmx-users] Problem with domain decomposition Mark Abraham
[gmx-users] trjconv => not get the enough data ? Chih-Ying Lin
[gmx-users] trjconv => not get the enough data ? Mark Abraham
[gmx-users] Static build Jack Shultz
[gmx-users] Re: viscosity and acflen in g_energy Vitaly V. Chaban
[gmx-users] Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] RE: Problem with domain decomposition ABEL Stephane 175950
[gmx-users] Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] how to create a PEO Residue database lammps lammps
[gmx-users] how to create a PEO Residue database Justin A. Lemkul
[gmx-users] Importing a trajectory Latévi Max LAWSON DAKU
[gmx-users] Re: viscosity and acflen in g_energy Mark Abraham
[gmx-users] Re: Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] Re: viscosity and acflen in g_energy David van der Spoel
[gmx-users] Re: viscosity and acflen in g_energy Vitaly V. Chaban
[gmx-users] Re: viscosity and acflen in g_energy Vitaly V. Chaban
[gmx-users] Static build Ansgar Esztermann
[gmx-users] connection to cvs.gromacs.org timed out Marc F. Lensink
[gmx-users] Static build Jack Shultz
[gmx-users] Generating a .gro file from .pdb file Lum Nforbi
[gmx-users] Generating a .gro file from .pdb file Justin A. Lemkul
[gmx-users] Simulation of a protein in a water/DMSO box Simone Cirri
[gmx-users] Simulation of a protein in a water/DMSO box Justin A. Lemkul
[gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] nvt.gro ram bio
[gmx-users] nvt.gro Justin A. Lemkul
[gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential Ragnarok sdf
[gmx-users] Re: Generating a .gro file from .pdb file Vitaly V. Chaban
[gmx-users] Re: Simulation of a protein in a water/DMSO box Vitaly V. Chaban
[gmx-users] direction_periodic aherz
[gmx-users] connection to cvs.gromacs.org timed out Mark Abraham
[gmx-users] Re: Simulation of a protein in a water/DMSO box Justin A. Lemkul
[gmx-users] Generating a .gro file from .pdb file Mark Abraham
[gmx-users] Re: Simulation of a protein in a water/DMSO box Vitaly V. Chaban
[gmx-users] Re: Simulation of a protein in a water/DMSO box Justin A. Lemkul
[gmx-users] direction_periodic Berk Hess
[gmx-users] direction_periodic aherz
[gmx-users] direction_periodic Berk Hess
[gmx-users] Electrostatic energies of aliphatic carbons in G53a6 Matteus Lindgren
[gmx-users] gyrate -p nicegromacs
[gmx-users] nvt.gro ram bio
[gmx-users] integration protein-bilayer in CG Francesco Pietra
[gmx-users] Generating a .gro file from .pdb file Tsjerk Wassenaar
[gmx-users] Trjconv trouble Vigers, Guy
[gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] error in converting charmm to gromacs Chanchal
[gmx-users] error in converting charmm to gromacs Mark Abraham
[gmx-users] Error message: Cut-off length is longer than half the shortest box vector Lum Nforbi
[gmx-users] Error message: Cut-off length is longer than half the shortest box vector Justin A. Lemkul
[gmx-users] Error message: Cut-off length is longer than half the shortest box vector Mark Abraham
[gmx-users] Trjconv trouble Tsjerk Wassenaar
[gmx-users] Trjconv trouble Mark Abraham
[gmx-users] output frequency modification Stanislaw Bobritsky
SV: [gmx-users] Error message: Cut-off length is longer than halfthe shortest box vector Sarah Witzke
[gmx-users] output frequency modification Mark Abraham
[gmx-users] question about energy minimization Amit Choubey
[gmx-users] amidated terminus peptide simulation Stanislaw Bobritsky
[gmx-users] amidated terminus peptide simulation Justin A. Lemkul
[gmx-users] Re: amidated terminus peptide simulation Stanislaw Bobritsky
[gmx-users] Re: amidated terminus peptide simulation Justin A. Lemkul
[gmx-users] water molecule cannot be settled Carla Jamous
[gmx-users] water molecule cannot be settled Tsjerk Wassenaar
[gmx-users] water molecule cannot be settled Carla Jamous
[gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential Stefan Hoorman
[gmx-users] Re: Re: Re: Re: Re: Re: Re: umbrella potential Justin A. Lemkul
[gmx-users] water molecule cannot be settled Justin A. Lemkul
[gmx-users] question about energy minimization Omer Markovitch
R: RE: R: RE: [gmx-users] Tabulated potential - Problem albitauro at virgilio.it
[gmx-users] No default G96 Bond types error Kukol, Andreas
[gmx-users] neutralizing membrane protein in lipid bilayer +water ram bio
[gmx-users] neutralizing membrane protein in lipid bilayer +water Justin A. Lemkul
[gmx-users] neutralizing membrane protein in lipid bilayer +water Marc F. Lensink
[gmx-users] Mailing List Search on the new website Rossen Apostolov
R: RE: R: RE: [gmx-users] Tabulated potential - Problem Berk Hess
[gmx-users] neutralizing membrane protein in lipid bilayer +water ram bio
[gmx-users] neutralizing membrane protein in lipid bilayer +water Justin A. Lemkul
[gmx-users] water molecule cannot be settled Manik Mayur
[gmx-users] error in converting charmm to gromacs !! Chanchal
[gmx-users] error in converting charmm to gromacs !! Justin A. Lemkul
R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem albitauro at virgilio.it
R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem Berk Hess
[gmx-users] neutralizing membrane protein in lipid bilayer +water ram bio
[gmx-users] neutralizing membrane protein in lipid bilayer +water Justin A. Lemkul
[gmx-users] neutralizing membrane protein in lipid bilayer +water Justin A. Lemkul
[gmx-users] Parameter to for randomizing simulation Jack Shultz
[gmx-users] neutralizing membrane protein in lipid bilayer +water ram bio
[gmx-users] Parameter to for randomizing simulation Justin A. Lemkul
[gmx-users] neutralizing membrane protein in lipid bilayer +water Justin A. Lemkul
[gmx-users] Parameter to for randomizing simulation Jack Shultz
[gmx-users] Parameter to for randomizing simulation Justin A. Lemkul
[gmx-users] question about energy minimization Amit Choubey
[gmx-users] LINCS dependence sunny mishra
[gmx-users] question about energy minimization Justin A. Lemkul
[gmx-users] LINCS dependence Justin A. Lemkul
[gmx-users] LINCS dependence sunny mishra
[gmx-users] LINCS dependence Justin A. Lemkul
[gmx-users] Trjconv trouble Vigers, Guy
[gmx-users] Trjconv trouble Justin A. Lemkul
[gmx-users] a naive question on restraints and constraints Payman Pirzadeh
[gmx-users] Re: a naive question on restraints and constraints Justin A. Lemkul
[gmx-users] Trjconv trouble Mark Abraham
[gmx-users] Mailing List Search on the new website Mark Abraham
[gmx-users] water molecule cannot be settled Itamar Kass
[gmx-users] error in converting charmm to gromacs !! Chanchal
[gmx-users] error in converting charmm to gromacs !! Mark Abraham
[gmx-users] Re: a naive question on restraints and constraints Tsjerk Wassenaar
[gmx-users] Mailing List Search on the new website David van der Spoel
[gmx-users] Mailing List Search on the new website Rossen Apostolov
[gmx-users] Re: Simulation of a protein in a water/DMSO box Simone Cirri
R: RE: R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem albitauro at virgilio.it
[gmx-users] Re: Simulation of a protein in a water/DMSO box Justin A. Lemkul
R: RE: R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem Mark Abraham
[gmx-users] water molecule cannot be settled Carla Jamous
R: Re: R: RE: R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem albitauro at virgilio.it
[gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes Jochen Hub
R: Re: R: RE: R: RE: R: RE: R: RE: [gmx-users] Tabulated potential - Problem Berk Hess
[gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes Berk Hess
[gmx-users] Parameter to for randomizing simulation Omer Markovitch
[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 Jochen Hub
[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] (no subject) Asmaa Elsheshiny
[gmx-users] vsites, ffamber, charge groups, N-terminus, and crashes Jochen Hub
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] Trjconv trouble Vigers, Guy

Last message date: Wed Sep 30 23:28:28 CEST 2009
Archived on: Thu Nov 14 12:07:24 CET 2013

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