November 2015 Archives by thread

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Starting: Sun Nov 1 21:01:49 CET 2015
Ending: Mon Nov 30 23:01:33 CET 2015
Messages: 461

• [gmx-users] gmx energy doesn't calculate LJ-SR and Coul-SR   Hovakim Grabski
  • [gmx-users] gmx energy doesn't calculate LJ-SR and Coul-SR   Justin Lemkul
• [gmx-users] binding free energy calculation and enegy decomposition in gmx   Marc Zhang
• [gmx-users] protein complex   Justin Lemkul
• [gmx-users] Fwd: hydrogen bonds   James Lord
  • [gmx-users] Fwd: hydrogen bonds   Justin Lemkul
• [gmx-users] updates about ACPYPE   Alan
• [gmx-users] plus and minus signs in rtp files   Joan Clark Nicolas
  • [gmx-users] plus and minus signs in rtp files   Justin Lemkul
    • [gmx-users] input file   Urszula Uciechowska
      • [gmx-users] input file   Justin Lemkul
      • [gmx-users] nvt error   Urszula Uciechowska
      • [gmx-users] nvt error   Justin Lemkul
    • [gmx-users] plus and minus signs in rtp files   Mark Abraham
• [gmx-users] Potential energy positive   Suman Das
• [gmx-users] workstation   Cyril Bauvais
  • [gmx-users] workstation   Mark Abraham
• [gmx-users] g_wham error   asasa qsqs
• [gmx-users] problem with restarting from cpt and _prev.cpt file in REMD simulation   Tomek Wlodarski
• [gmx-users] implicit solvent with periodic molecules   Анна Павловна Толстова
  • [gmx-users] implicit solvent with periodic molecules   Justin Lemkul
• [gmx-users] No convergence with g_nmeig   KARAKAS Esra
• [gmx-users] nhbdist option in gmx hbond?   Gmx QA
  • [gmx-users] nhbdist option in gmx hbond?   Gmx QA
• [gmx-users] Gromacs mdrun for k20 and cpu   Alex Mathew
  • [gmx-users] Gromacs mdrun for k20 and cpu   Szilárd Páll
• [gmx-users] Flat-bottomed potential from user-defined reference   Cosseddu, S.M.
  • [gmx-users] Flat-bottomed potential from user-defined reference   Vitaly V. Chaban
  • [gmx-users] Flat-bottomed potential from user-defined reference   Justin Lemkul
    • [gmx-users] [Spam] Re: Flat-bottomed potential from user-defined reference   Cosseddu, S.M.
• [gmx-users] problem of compiling   Albert
  • [gmx-users] problem of compiling   Kutzner, Carsten
    • [gmx-users] problem of compiling   Albert
      • [gmx-users] problem of compiling   Mark Abraham
• [gmx-users] How to determine box shape and parameters from a run   Ramon Crehuet
  • [gmx-users] How to determine box shape and parameters from a run   Justin Lemkul
• [gmx-users] AIREBO and multibody non-bonded potentials in GROMACS   Peter Kroon
• [gmx-users] Flat-bottomed potential from user-defined reference   Cosseddu, S.M.
  • [gmx-users] Flat-bottomed potential from user-defined reference   Mark Abraham
• [gmx-users] Problems with mktop 2.2.1   Chiara Bello
  • [gmx-users] Problems with mktop 2.2.1   Justin Lemkul
• [gmx-users] long-stick molecule solvation   xy21hb
  • [gmx-users] long-stick molecule solvation   Justin Lemkul
    • [gmx-users] long-stick molecule solvation   xy21hb
      • [gmx-users] long-stick molecule solvation   Justin Lemkul
      • [gmx-users] long-stick molecule solvation   xy21hb
      • [gmx-users] long-stick molecule solvation   Justin Lemkul
      • [gmx-users] long-stick molecule solvation   xy21hb
      • [gmx-users] long-stick molecule solvation   Justin Lemkul
      • [gmx-users] long-stick molecule solvation   xy21hb
      • [gmx-users] long-stick molecule solvation   Justin Lemkul
      • [gmx-users] long-stick molecule solvation   xy21hb
      • [gmx-users] long-stick molecule solvation   Justin Lemkul
• [gmx-users] Gromacs GPU got hang   M Teguh Satria
• [gmx-users] How to determine box shape and parameters from a run   Ramon Crehuet
  • [gmx-users] How to determine box shape and parameters from a run   Tsjerk Wassenaar
    • [gmx-users] How to determine box shape and parameters from a run   Mark Abraham
• [gmx-users] Distance matrix between chains   Clarke, Benjamin (NIH/NIDDK) [F]
• [gmx-users] NVT to NVE ensemble, energy drifting problem   gozde ergin
  • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   gozde ergin
    • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   Vitaly V. Chaban
      • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   gozde ergin
      • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   Ganesh Shahane
      • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   gozde ergin
      • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   Mark Abraham
      • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   gozde ergin
      • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   Mark Abraham
      • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   gozde ergin
      • [gmx-users] Fwd: NVT to NVE ensemble, energy drifting problem   Mark Abraham
• [gmx-users] g_wham error   asasa qsqs
• [gmx-users] Issues Using CHARMM22* Force Field with GROMACS 5.1   David Rosenman
  • [gmx-users] Issues Using CHARMM22* Force Field with GROMACS 5.1   Justin Lemkul
    • [gmx-users] Issues Using CHARMM22* Force Field with GROMACS 5.1   David Rosenman
• [gmx-users] using charmm36 force field with gromacs   Yoav Atsmon-Raz
  • [gmx-users] using charmm36 force field with gromacs   Justin Lemkul
    • [gmx-users] using charmm36 force field with gromacs   Erik Marklund
      • [gmx-users] using charmm36 force field with gromacs   Justin Lemkul
      • [gmx-users] using charmm36 force field with gromacs   Erik Marklund
      • [gmx-users] using charmm36 force field with gromacs   Justin Lemkul
      • [gmx-users] using charmm36 force field with gromacs   Erik Marklund
      • [gmx-users] using charmm36 force field with gromacs   Catarina A. Carvalheda dos Santos
      • [gmx-users] using charmm36 force field with gromacs   Justin Lemkul
      • [gmx-users] using charmm36 force field with gromacs   Mark Abraham
      • [gmx-users] using charmm36 force field with gromacs   Justin Lemkul
      • [gmx-users] using charmm36 force field with gromacs   Catarina A. Carvalheda dos Santos
      • [gmx-users] using charmm36 force field with gromacs   Justin Lemkul
      • [gmx-users] using charmm36 force field with gromacs   Catarina A. Carvalheda dos Santos
    • [gmx-users] using charmm36 force field with gromacs   Yoav Atsmon-Raz
      • [gmx-users] using charmm36 force field with gromacs   Justin Lemkul
  • [gmx-users] using charmm36 force field with gromacs   Krzysztof Kuczera
• [gmx-users] using charmm36 force field with gromacs   Yoav Atsmon-Raz
• [gmx-users] covariance matrix obtained from g_covar   Amit Kumawat
• [gmx-users] Automating pdb2gmx   Jernej Zidar
  • [gmx-users] Automating pdb2gmx   Justin Lemkul
• [gmx-users] Automating pdb2gmx   Jernej Zidar
• [gmx-users] Error DSSP Gromacs 5.0.4   Stefania Evoli
  • [gmx-users] Error DSSP Gromacs 5.0.4   Justin Lemkul
  • [gmx-users] Error DSSP Gromacs 5.0.4   João Henriques
    • [gmx-users] Error DSSP Gromacs 5.0.4   Stefania Evoli
      • [gmx-users] Error DSSP Gromacs 5.0.4   Stefania Evoli
      • [gmx-users] Error DSSP Gromacs 5.0.4   João Henriques
      • [gmx-users] Error DSSP Gromacs 5.0.4   Stefania Evoli
      • [gmx-users] Error DSSP Gromacs 5.0.4   Justin Lemkul
      • [gmx-users] Error DSSP Gromacs 5.0.4   João Henriques
      • [gmx-users] Error DSSP Gromacs 5.0.4   Justin Lemkul
      • [gmx-users] Error DSSP Gromacs 5.0.4   Stefania Evoli
      • [gmx-users] Error DSSP Gromacs 5.0.4   Justin Lemkul
• [gmx-users] Energy conservation in NVE simulations   张正财
  • [gmx-users] Energy conservation in NVE simulations   Mark Abraham
• [gmx-users] long-stick molecule solvation   xy21hb
  • [gmx-users] long-stick molecule solvation   Justin Lemkul
    • [gmx-users] long-stick molecule solvation   xy21hb
• [gmx-users] Energy conservation in NVE simulations   张正财
• [gmx-users] gmx sasa output confusion   Francesco Carbone
  • [gmx-users] gmx sasa output confusion   Teemu Murtola
    • [gmx-users] gmx sasa output confusion   Francesco Carbone
      • [gmx-users] gmx sasa output confusion   Teemu Murtola
• [gmx-users] Disribution Function   thomas knitter
  • [gmx-users] Disribution Function   Justin Lemkul
• [gmx-users] Distribution function   thomas knitter
  • [gmx-users] Distribution function   Justin Lemkul
• [gmx-users] pdo files   asasa qsqs
• [gmx-users] No convergence with g_nmeig   KARAKAS Esra
  • [gmx-users] No convergence with g_nmeig   Joaquim Rui de Castro Rodrigues
• [gmx-users] S**2 order parameter from a trajectory   Ramon Crehuet
• [gmx-users] dimer split   xy21hb
  • [gmx-users] dimer split   Justin Lemkul
    • [gmx-users] dimer split   Clarke, Benjamin (NIH/NIDDK) [F]
• [gmx-users] No convergence with g_nmeig   KARAKAS Esra
• [gmx-users] Dear Gromaces users, I have a problem   JINGJING HUANG
  • [gmx-users] (MD with constraints giving LINCS error using N cores not on 1 core)   JINGJING HUANG
• [gmx-users] Charmm27 forcefield parameters for carbon nanotubes   Sanchaita Rajkhowa
  • [gmx-users] Charmm27 forcefield parameters for carbon nanotubes   ashan wettasinghe
  • [gmx-users] Charmm27 forcefield parameters for carbon nanotubes   Justin Lemkul
• [gmx-users] rotacf in Gromacs 5.1 gives unexpected results   Ramon Crehuet
• [gmx-users] Protein-ligand error pdb2gmx   Poncho Arvayo Zatarain
  • [gmx-users] Protein-ligand error pdb2gmx   Justin Lemkul
• [gmx-users] charge assign   elham tazikeh
• [gmx-users] Query regarding water not settled   shalini muralikumar
  • [gmx-users] Query regarding water not settled   Mark Abraham
• [gmx-users] How to build a correct structure file beyond 99999 atoms using pdb or gro extend format ?   田会全
  • [gmx-users] How to build a correct structure file beyond 99999 atoms using pdb or gro extend format ?   Mark Abraham
• [gmx-users] Fwd: OPLA   Mehrnoosh Hazrati
  • [gmx-users] Fwd: OPLA   Peter Stern
• [gmx-users] Warning:Some of these results violate the Second Law of Thermodynamics   Mishelle Oña
  • [gmx-users] Problems with g_bar   Mishelle Oña
    • [gmx-users] Normal Mode   Dan Sponseller
    • [gmx-users] Free solvation, problems with g_bar   Mishelle Oña
      • [gmx-users] Free solvation, problems with g_bar   Justin Lemkul
      • [gmx-users] Free solvation, problems with g_bar   Mishelle Oña
      • [gmx-users] Tools for energy of solvation in polimers   Mishelle Oña
      • [gmx-users] Tools for energy of solvation in polimers   Justin Lemkul
      • [gmx-users] Tools for energy of solvation in polimers   Mishelle Oña
      • [gmx-users] Tools for energy of solvation in polimers   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 139, Issue 34   张正财
  • [gmx-users] gromacs.org_gmx-users Digest, Vol 139, Issue 34   Peter Stern
• [gmx-users] periodic molecule   Pierre-André Cazade
  • [gmx-users] periodic molecule   CHEN Pan
    • [gmx-users] periodic molecule   Pierre-André Cazade
• [gmx-users] How to build a correct structure file beyond 99999 atoms using pdb or gro extend format ?   田会全
• [gmx-users] mpirun   Said
  • [gmx-users] mpirun   Justin Lemkul
    • [gmx-users] mpirun   Elsaid Younes
      • [gmx-users] mpirun   Justin Lemkul
      • [gmx-users] mpirun   Samuel Flores
      • [gmx-users] mpirun   Justin Lemkul
      • [gmx-users] mpirun   Samuel Flores
      • [gmx-users] mpirun   Elsaid Younes
      • [gmx-users] mpirun   Elsaid Younes
      • [gmx-users] mpirun   Justin Lemkul
      • [gmx-users] mpirun   Elsaid Younes
      • [gmx-users] mpirun   Mark Abraham
• [gmx-users] GROMACS 5.1.1 official release   Mark Abraham
• [gmx-users] per atom stress tensor from g_energy   Moultos, Othon
• [gmx-users] Problem with Charges   faride badalkhani
  • [gmx-users] Problem with Charges   Justin Lemkul
• [gmx-users] DPPC hlothane Residue DPP not found in residue topology database   Poncho Arvayo Zatarain
  • [gmx-users] DPPC hlothane Residue DPP not found in residue topology database   Justin Lemkul
• [gmx-users] QM/MM   Timofey Tyugashev
• [gmx-users] grompp error   محمد گره گشا
  • [gmx-users] grompp error   Mark Abraham
• [gmx-users] g_cluster   Daniele Avancini
• [gmx-users] How to restrain the center of gravity   Hirayama, Kazunori
  • [gmx-users] How to restrain the center of gravity   Mark Abraham
• [gmx-users] 2. QM/MM (Timofey Tyugashev)   Groenhof, Gerrit
• [gmx-users] Restarting a crashed with gromacs-5.0   Zhaleh Ghaemi
• [gmx-users] g_tcaf use issue   Jones de Andrade
  • [gmx-users] g_tcaf use issue   Peter Kroon
    • [gmx-users] g_tcaf use issue   Jones de Andrade
• [gmx-users] Definition in martini CG force field   mohammad agha
  • [gmx-users] Definition in martini CG force field   Peter Kroon
    • [gmx-users] Definition in martini CG force field   mohammad agha
• [gmx-users] 2. QM/MM (Timofey Tyugashev)   Timofey Tyugashev
• [gmx-users] energy autocorrelation function   Vitaly V. Chaban
  • [gmx-users] energy autocorrelation function   Mario Fernández Pendás
• [gmx-users] energy autocorrelation function: bug?   Vitaly V. Chaban
• [gmx-users] Getting a crystal topology file from pdb2gmx   Ben Tam
  • [gmx-users] Getting a crystal topology file from pdb2gmx   Smith, Micholas D.
    • [gmx-users] Getting a crystal topology file from pdb2gmx   Ben Tam
      • [gmx-users] Getting a crystal topology file from pdb2gmx   Justin Lemkul
      • [gmx-users] Getting a crystal topology file from pdb2gmx   Ben Tam
      • [gmx-users] Getting a crystal topology file from pdb2gmx   Justin Lemkul
      • [gmx-users] Getting a crystal topology file from pdb2gmx   Ben Tam
      • [gmx-users] Getting a crystal topology file from pdb2gmx   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 139, Issue 45   Groenhof, Gerrit
• [gmx-users] Velocities with constraints   Miguel Caro
  • [gmx-users] Velocities with constraints   Caro Miguel
    • [gmx-users] Velocities with constraints   Mark Abraham
      • [gmx-users] Velocities with constraints   Miguel Caro
      • [gmx-users] Velocities with constraints   Mark Abraham
      • [gmx-users] Velocities with constraints   Miguel Caro
      • [gmx-users] Velocities with constraints   Miguel Caro
• [gmx-users] problem with equilibration of DLiPC membrane   Shiva Emami
  • [gmx-users] problem with equilibration of DLiPC membrane   Catarina A. Carvalheda dos Santos
    • [gmx-users] problem with equilibration of DLiPC membrane   Shiva Emami
      • [gmx-users] problem with equilibration of DLiPC membrane   Catarina A. Carvalheda dos Santos
      • [gmx-users] problem with equilibration of DLiPC membrane   Shiva Emami
      • [gmx-users] problem with equilibration of DLiPC membrane   Catarina A. Carvalheda dos Santos
• [gmx-users] per atom stress tensor Sab   Moultos, Othon
• [gmx-users] segmentation fault in equilibrium   mohammad agha
  • [gmx-users] segmentation fault in equilibrium   Justin Lemkul
• [gmx-users] vir term in g_energy   Moultos, Othon
• [gmx-users] Coarse grained: non bonded interactions via iterative Boltzmann inversion   Liz Bell
• [gmx-users] [gmx-developers] difference between Protein and protein-H   Justin Lemkul
• [gmx-users] Regarding Umbrella sampling PMF   Bikash Ranjan Sahoo
• [gmx-users] segmentation fault in equilibrium   sara soleimanzadegan
  • [gmx-users] segmentation fault in equilibrium   Justin Lemkul
    • [gmx-users] segmentation fault in equilibrium   sara soleimanzadegan
• [gmx-users] Center of mass removal for a trajectory which is already created   Faezeh Pousaneh
  • [gmx-users] Center of mass removal for a trajectory which is already created   Justin Lemkul
    • [gmx-users] Center of mass removal for a trajectory which is already created   Faezeh Pousaneh
      • [gmx-users] Center of mass removal for a trajectory which is already created   Faezeh Pousaneh
• [gmx-users] AIREBO and multibody non-bonded potentials in GROMACS   Peter Kroon
• [gmx-users] Tabulated potential error   Pallavi Banerjee
  • [gmx-users] Tabulated potential error   Mark Abraham
• [gmx-users] Re : Tabulated potential error   Pallavi Banerjee
  • [gmx-users] Re : Tabulated potential error   Mark Abraham
• [gmx-users] Multiple time step MD   Joan Clark Nicolas
  • [gmx-users] Multiple time step MD   Mark Abraham
    • [gmx-users] Multiple time step MD   Joan Clark Nicolas
• [gmx-users] produce the surfactant.itp file   mahdiyeh poorsargol
• [gmx-users] Collaboration request   Malihe Hasanzadeh
• [gmx-users] Fwd: Problem with GROMACS simulation   Shantanu Singh
• [gmx-users] Fwd: Problem with GROMACS simulation   Shantanu Singh
  • [gmx-users] Problem with GROMACS simulation   Erik Marklund
    • [gmx-users] Problem with GROMACS simulation   Shantanu Singh
      • [gmx-users] Problem with GROMACS simulation   Peter Stern
• [gmx-users] SASA question   Tom
• [gmx-users] gmx-users at gromacs.org   Mishelle Oña
• [gmx-users] Problems with trjconv   Mishelle Oña
  • [gmx-users] Problems with trjconv   Mark Abraham
    • [gmx-users] Problems with trjconv   Mishelle Oña
      • [gmx-users] Problems with trjconv   Mark Abraham
      • [gmx-users] Problems with trjconv   Mishelle Oña
      • [gmx-users] Problems with trjconv   Mark Abraham
      • [gmx-users] Problems with trjconv   Mishelle Oña
      • [gmx-users] Problems with trjconv   Shantanu Maheshwari
      • [gmx-users] Problems with trjconv   Mishelle Oña
      • [gmx-users] Problems with trjconv   Shantanu Maheshwari
• [gmx-users] electric field   Maryam Kowsar
  • [gmx-users] electric field   Erik Marklund
• [gmx-users] restart issues with Gromacs   Nash, Anthony
  • [gmx-users] restart issues with Gromacs   Mark Abraham
    • [gmx-users] restart issues with Gromacs   Nash, Anthony
• [gmx-users] Choosing LINCS setting / rcon for parallel mdrun   Agnivo Gosai
  • [gmx-users] Choosing LINCS setting / rcon for parallel mdrun   Justin Lemkul
• [gmx-users] difference between entropic energy and free energy   Ming Tang
  • [gmx-users] difference between entropic energy and free energy   Justin Lemkul
• [gmx-users] (no subject)   Mehriar Amininasab
• [gmx-users] Alkane in water system simulation - TraPPE force field - Error: "Incorrect number of atomtypes for dihedral (4 instead of 2 and 4)"   Shantanu Singh
• [gmx-users] Alkane in water system simulation - TraPPE force field - Error: "Incorrect number of atomtypes for dihedral (4 instead of 2 and 4)"   Shantanu Singh
  • [gmx-users] Alkane in water system simulation - TraPPE force field - Error: "Incorrect number of atomtypes for dihedral (4 instead of 2 and 4)"   Peter Stern
    • [gmx-users] Alkane in water system simulation - TraPPE force field - Error: "Incorrect number of atomtypes for dihedral (4 instead of 2 and 4)"   Shantanu Singh
• [gmx-users] g_select problem   Albert
• [gmx-users] electric field   Man Hoang Viet
  • [gmx-users] electric field   Maryam Kowsar
• [gmx-users] SASA: Gromacs5 vs Gromacs4   morpheus
  • [gmx-users] SASA: Gromacs5 vs Gromacs4   Justin Lemkul
• [gmx-users] Ligand Virtual Sites   Joan Clark Nicolas
• [gmx-users] Choosing LINCS setting / rcon for parallel mdrun   Agnivo Gosai
  • [gmx-users] Choosing LINCS setting / rcon for parallel mdrun   Mark Abraham
• [gmx-users] Select waters in a specific pore with gmx select   Mahboobe Sadr
  • [gmx-users] Fwd: Select waters in a specific pore with gmx select   Mahboobe Sadr
• [gmx-users] Computing of reaction coordinate by g_wham   Damiano Buratto
  • [gmx-users] Computing of reaction coordinate by g_wham   Damiano Buratto
    • [gmx-users] Computing of reaction coordinate by g_wham   Justin Lemkul
• [gmx-users] Bug in option parsing?   Åke Sandgren
  • [gmx-users] Bug in option parsing?   Kutzner, Carsten
    • [gmx-users] Bug in option parsing?   Åke Sandgren
      • [gmx-users] Bug in option parsing?   Kutzner, Carsten
• [gmx-users] Profiling mdrun with GProf   Dave Michael
  • [gmx-users] Profiling mdrun with GProf   Mark Abraham
    • [gmx-users] Profiling mdrun with GProf   Dave Michael
      • [gmx-users] Profiling mdrun with GProf   Mark Abraham
      • [gmx-users] Profiling mdrun with GProf   Dave Michael
      • [gmx-users] Profiling mdrun with GProf   Åke Sandgren
      • [gmx-users] Profiling mdrun with GProf   Dave Michael
      • [gmx-users] Profiling mdrun with GProf   Mark Abraham
      • [gmx-users] Profiling mdrun with GProf   Dave Michael
      • [gmx-users] Profiling mdrun with GProf   Mark Abraham
• [gmx-users] ligand topology & charge calculations   Chetan Puri
• [gmx-users] output forces with trjconv   Moultos, Othon
  • [gmx-users] output forces with trjconv   Justin Lemkul
• [gmx-users] SASA Problem   Tom
  • [gmx-users] SASA Problem   Mark Abraham
• [gmx-users] Gromacs 5.1 and 5.1.1 crash in REMD   Krzysztof Kuczera
  • [gmx-users] Gromacs 5.1 and 5.1.1 crash in REMD   Mark Abraham
    • [gmx-users] Gromacs 5.1 and 5.1.1 crash in REMD   Justin Lemkul
      • [gmx-users] Gromacs 5.1 and 5.1.1 crash in REMD   Krzysztof Kuczera
      • [gmx-users] Gromacs 5.1 and 5.1.1 crash in REMD   Mark Abraham
• [gmx-users] Polarizable Li+ Drude Simulations   Tuanan Lourenço
  • [gmx-users] Polarizable Li+ Drude Simulations   Justin Lemkul
• [gmx-users] gmx mdrun std::bad_alloc whilst using PLUMED   Nash, Anthony
  • [gmx-users] gmx mdrun std::bad_alloc whilst using PLUMED   Mark Abraham
    • [gmx-users] gmx mdrun std::bad_alloc whilst using PLUMED   Nash, Anthony
• [gmx-users] SASA Problem (Mark Abraham)   Tom
• [gmx-users] cannot open traj.xtc   surbhi mahajan
  • [gmx-users] cannot open traj.xtc   Justin Lemkul
    • [gmx-users] cannot open traj.xtc   surbhi mahajan
      • [gmx-users] cannot open traj.xtc   Justin Lemkul
• [gmx-users] surfactant.itp file   mahdiyeh poorsargol
  • [gmx-users] surfactant.itp file   Justin Lemkul
  • [gmx-users] surfactant.itp file   mahdiyeh poorsargol
• [gmx-users] cannot open traj.xtc   soumadwip ghosh
• [gmx-users] Affinity setting for 1/16 threads failed. Version 5.0.2   Siva Dasetty
  • [gmx-users] Affinity setting for 1/16 threads failed. Version 5.0.2   Mark Abraham
    • [gmx-users] Affinity setting for 1/16 threads failed. Version 5.0.2   Siva Dasetty
      • [gmx-users] Affinity setting for 1/16 threads failed. Version 5.0.2   Mark Abraham
      • [gmx-users] Affinity setting for 1/16 threads failed. Version 5.0.2   Szilárd Páll
      • [gmx-users] Affinity setting for 1/16 threads failed. Version 5.0.2   Siva Dasetty
• [gmx-users] Umbrella sampling tutorial - V-rescale or Berendsen thermostat   Martin Nors Pedersen
  • [gmx-users] Umbrella sampling tutorial - V-rescale or Berendsen thermostat   Justin Lemkul
• [gmx-users] Running ultiple job in core?   RJ
  • [gmx-users] Running ultiple job in core?   Hardy, Adam
  • [gmx-users] Running ultiple job in core?   Szilárd Páll
• [gmx-users] surfactant.itp file   mahdiyeh poorsargol
• [gmx-users] surfactant.itp file   mahdiyeh poorsargol
• [gmx-users] LINC warning   凌未风
• [gmx-users] calculate apolar contact area   Linlin Yang
• [gmx-users] Gromacs 5 and Shake   luigi
• [gmx-users] (no subject)   mahdiyeh poorsargol
• [gmx-users] surfactant.itp file   mahdiyeh poorsargol
  • [gmx-users] surfactant.itp file   Justin Lemkul
• [gmx-users] POPC simulation with heavy hydrogens and 4 fs timestep   Ganesh Shahane
  • [gmx-users] POPC simulation with heavy hydrogens and 4 fs timestep   Justin Lemkul
• [gmx-users] Building gromacs 5.1.1: doesn't build all programs like grompp   Stephen Cousins
  • [gmx-users] Building gromacs 5.1.1: doesn't build all programs like grompp   Justin Lemkul
• [gmx-users] charge calculations and topology   Chetan Puri
  • [gmx-users] charge calculations and topology   Justin Lemkul
• [gmx-users] symtab get_symtab_handle error   Zhaleh Ghaemi
  • [gmx-users] symtab get_symtab_handle error   Justin Lemkul
    • [gmx-users] symtab get_symtab_handle error   Zhaleh Ghaemi
• [gmx-users] H-REMD in umbrella sampling   adam
• [gmx-users] inertia tensor   sarman at ownit.nu
• [gmx-users] No convergence with g_nmeig   KARAKAS Esra
• [gmx-users] Dumping centers of mass of molecules during MD simulation   S.M. Golam Mortuza
  • [gmx-users] Dumping centers of mass of molecules during MD simulation   Justin Lemkul
• [gmx-users] segmentation fault with GPU   xiao
  • [gmx-users] segmentation fault with GPU   Mark Abraham
• [gmx-users] about .trr input file format   Ayesha Kanwal
• [gmx-users] support mmcif format?   Albert
  • [gmx-users] support mmcif format?   Mark Abraham
    • [gmx-users] support mmcif format?   Albert
    • [gmx-users] support mmcif format?   Hannes Loeffler
      • [gmx-users] support mmcif format?   Mark Abraham
      • [gmx-users] support mmcif format?   Albert
      • [gmx-users] support mmcif format?   Mark Abraham
• [gmx-users] H-REMD in umbrella sampling   Adam.Orlowski
  • [gmx-users] H-REMD in umbrella sampling   Yuri Garmay
    • [gmx-users] H-REMD in umbrella sampling   adam
      • [gmx-users] H-REMD in umbrella sampling   Justin Lemkul
      • [gmx-users] H-REMD in umbrella sampling   Yuri Garmay
• [gmx-users] How can I split .xtc file to two part?   Hassan Aaryapour
  • [gmx-users] How can I split .xtc file to two part?   Justin Lemkul
  • [gmx-users] How can I split .xtc file to two part?   Téletchéa Stéphane
• [gmx-users] Problem with running crystal simulation   Ben Tam
  • [gmx-users] Problem with running crystal simulation   Elton Carvalho
    • [gmx-users] Problem with running crystal simulation   Ben Tam
      • [gmx-users] Problem with running crystal simulation   Elton Carvalho
• [gmx-users] TIP3P for GROMOS96 force field   Ali Mohyeddin
  • [gmx-users] TIP3P for GROMOS96 force field   João Henriques
• [gmx-users] Backmapping of POPE   Ganesh Shahane
  • [gmx-users] Backmapping of POPE   Tsjerk Wassenaar
• [gmx-users] Explicit and implicit solvent   Tushar Ranjan Moharana
  • [gmx-users] Explicit and implicit solvent   João Henriques
• [gmx-users] convert amber files to gromacs   mohammad r
• [gmx-users] Umbrella sampling with spherical coordinate   Yuno Lee
• [gmx-users] NPT compress Box using negative Pressure   Christian Bope Domilongo
  • [gmx-users] NPT compress Box using negative Pressure   Elton Carvalho
• [gmx-users] How to monitor restrained force (F_i) used for distance restraints   Yuno Lee
• [gmx-users] Realistic water simulation   Mario Fernández Pendás
  • [gmx-users] Realistic water simulation   David van der Spoel
    • [gmx-users] Realistic water simulation   Mario Fernández Pendás
• [gmx-users] Umbrella sampling and dividing the forces into mean force + friction force + random force   gozde ergin
  • [gmx-users] Umbrella sampling and dividing the forces into mean force + friction force + random force   gozde ergin
• [gmx-users] Hamiltonian REMD   Sanja Zivanovic
  • [gmx-users] Hamiltonian REMD   Michael Shirts
• [gmx-users] service broken?   Albert
  • [gmx-users] service broken?   Peter Stern
• [gmx-users] removing some atoms   James Lord
  • [gmx-users] Fwd: removing some atoms   James Lord
    • [gmx-users] Fwd: removing some atoms   João Martins
      • [gmx-users] Fwd: removing some atoms   Elton Carvalho
• [gmx-users] mdrun error   Golnaz Roudsari
  • [gmx-users] mdrun error   Elton Carvalho
• [gmx-users] Umbrella sampling force autocorrelation   gozde ergin
• [gmx-users] Problem compiling 4.6.7 with gpu support   Saverio Lemme
  • [gmx-users] Problem compiling 4.6.7 with gpu support   Szilárd Páll
• [gmx-users] Why did the aggregate of salt happen when I used Gromacs to perform the simulation in 1.5 M KCl solution?   xieshaoqu at qq.com
  • [gmx-users] Why did the aggregate of salt happen when I used Gromacs to perform the simulation in 1.5 M KCl solution?   Erik Marklund
  • [gmx-users] Why did the aggregate of salt happen when I used Gromacs to perform the simulation in 1.5 M KCl solution?   Smith, Micholas D.
    • [gmx-users] Why did the aggregate of salt happen when I used Gromacs to perform the simulation in 1.5 M KCl solution?   David van der Spoel
      • [gmx-users] Why did the aggregate of salt happen when I used Gromacs to perform the simulation in 1.5 M KCl solution?   Smith, Micholas D.
• [gmx-users] pme_loadbal problem   himanshu khandelia
  • [gmx-users] pme_loadbal problem   Mark Abraham
• [gmx-users] Checking solvent water positions   Timofey Tyugashev
• [gmx-users] combine two pdb files   masoud keramati
  • [gmx-users] combine two pdb files   Peter Stern
    • [gmx-users] combine two pdb files   Chandan Choudhury
    • [gmx-users] combine two pdb files   masoud keramati
      • [gmx-users] combine two pdb files   Peter Stern
      • [gmx-users] combine two pdb files   masoud keramati
• [gmx-users] tutorial umbrella sampling   Matthias Kiesel
  • [gmx-users] tutorial umbrella sampling   Justin Lemkul
• [gmx-users] Compile error in Gromacs-5.1 and icc2011+openmpi+cuda5.5   jzhang
• [gmx-users] GMX analysis (g_gyrate) cannot open just the md.trr file   Sajjad Kavyani
  • [gmx-users] GMX analysis (g_gyrate) cannot open just the md.trr file   Erik Marklund
    • [gmx-users] GMX analysis (g_gyrate) cannot open just the md.trr file   Justin Lemkul
      • [gmx-users] GMX analysis (g_gyrate) cannot open just the md.trr file   Sajjad Kavyani
      • [gmx-users] GMX analysis (g_gyrate) cannot open just the md.trr file   Teemu Murtola
      • [gmx-users] GMX analysis (g_gyrate) cannot open just the md.trr file   Sajjad Kavyani
• [gmx-users] tutorial for "dual" alchemical transformation in gromacs?   Sebastian Stolzenberg
  • [gmx-users] tutorial for "dual" alchemical transformation in gromacs?   hannes.loeffler at stfc.ac.uk
    • [gmx-users] tutorial for "dual" alchemical transformation in gromacs?   Sebastian Stolzenberg
      • [gmx-users] tutorial for "dual" alchemical transformation in gromacs?   hannes.loeffler at stfc.ac.uk
• [gmx-users] Fwd: Help with Gromacs 5.1 mdp options for CHARMM27 force field   Rakesh Ramachandran
  • [gmx-users] Fwd: Help with Gromacs 5.1 mdp options for CHARMM27 force field   Justin Lemkul
    • [gmx-users] Fwd: Help with Gromacs 5.1 mdp options for CHARMM27 force field   Rakesh Ramachandran
• [gmx-users] seeking a little help   Subho Chakraborty
  • [gmx-users] seeking a little help   Justin Lemkul
• [gmx-users] topology of ligand contains boron   Low Chen Fei
  • [gmx-users] topology of ligand contains boron   Justin Lemkul
• [gmx-users] topology of ligand contains boron   subho_1997 at yahoo.com
  • [gmx-users] topology of ligand contains boron   Justin Lemkul
  • [gmx-users] topology of ligand contains boron   André Farias de Moura
• [gmx-users] Errors pdb2gmx   Stefania Evoli
  • [gmx-users] Errors pdb2gmx   Justin Lemkul
• [gmx-users] Example of H REMD   Sanja Zivanovic
  • [gmx-users] Example of H REMD   Michael Shirts
• [gmx-users] tutorial umbrella sampling   Matthias Kiesel
• [gmx-users] LINC warning after long time simulations   凌未风

Last message date: Mon Nov 30 23:01:33 CET 2015
Archived on: Mon Nov 30 23:01:33 CET 2015

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