April 2014 Archives by date

• Messages sorted by: [ thread ] [ subject ] [ author ]
• More info on this list...

Starting: Tue Apr 1 00:13:06 CEST 2014
Ending: Wed Apr 30 18:52:09 CEST 2014
Messages: 644

• [gmx-users] Water out of box? Negative Z-Coordinates   GtrAngus
• [gmx-users] Water out of box? Negative Z-Coordinates   Justin Lemkul
• [gmx-users] Water out of box? Negative Z-Coordinates   GtrAngus
• [gmx-users] difference in energy when using -nb cpu   Rafael I. Silverman y de la Vega
• [gmx-users] Water out of box? Negative Z-Coordinates   Justin Lemkul
• [gmx-users] Water out of box? Negative Z-Coordinates   Justin Lemkul
• [gmx-users] re difference between GPU and CPU only run   Rafael I. Silverman y de la Vega
• [gmx-users] Water out of box? Negative Z-Coordinates   GtrAngus
• [gmx-users] Checking the possibility of one complex out of possible two   Pappu Kumar
• [gmx-users] about gromacs   Meenakshi Rajput
• [gmx-users] about gromacs   bipin singh
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] Water out of box? Negative Z-Coordinates   Tsjerk Wassenaar
• [gmx-users] How to provide the FFTW3 install directory   Mirco Wahab
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] gromacs   Meenakshi Rajput
• [gmx-users] Monitor GMX performance with CUDA   Dario Corrada
• [gmx-users] gromacs   Pavan Kumar
• [gmx-users] Monitor GMX performance with CUDA   Riccardo Concu
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] How to provide the FFTW3 install directory   Mirco Wahab
• [gmx-users] gromacs   Jernej Zidar
• [gmx-users] Erro in SMD simulation..   Kalyanashis
• [gmx-users] exclude some frames from trajectory   Saman Shahriyari
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] protein water contacts   pratibha
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] Checking the possibility of one complex out of possible two   Justin Lemkul
• [gmx-users] Erro in SMD simulation..   Justin Lemkul
• [gmx-users] exclude some frames from trajectory   Justin Lemkul
• [gmx-users] protein water contacts   Justin Lemkul
• [gmx-users] Water out of box? Negative Z-Coordinates   GtrAngus
• [gmx-users] exclude some frames from trajectory   GtrAngus
• [gmx-users] How to provide the FFTW3 install directory   Mirco Wahab
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] How to provide the FFTW3 install directory   Mirco Wahab
• [gmx-users] visualize gromacs trajectory in VMD   sunyeping
• [gmx-users] difference in energy when using -nb cpu   Mark Abraham
• [gmx-users] Erro in SMD simulation..   Kalyanashis
• [gmx-users] Erro in SMD simulation..   Justin Lemkul
• [gmx-users] visualize gromacs trajectory in VMD   Justin Lemkul
• [gmx-users] Erro in SMD simulation..   Kalyanashis
• [gmx-users] Erro in SMD simulation..   Justin Lemkul
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] Projecting conformational changes onto PCs   Mendez Giraldez, Raul
• [gmx-users] How to provide the FFTW3 install directory   Mirco Wahab
• [gmx-users] Projecting conformational changes onto PCs   Tsjerk Wassenaar
• [gmx-users] Water out of box? Negative Z-Coordinates   Tsjerk Wassenaar
• [gmx-users] Projecting conformational changes onto PCs   rmendez
• [gmx-users] Flat-bottom potentials   Andres Ortega
• [gmx-users] How deuterium order parameters computed?   Bin Liu
• [gmx-users] Flat-bottom potentials   Justin Lemkul
• [gmx-users] How deuterium order parameters computed?   Reid Van Lehn
• [gmx-users] How deuterium order parameters computed?   Reid Van Lehn
• [gmx-users] Flat-bottom potentials   Andres Ortega Guerrero
• [gmx-users] Flat-bottom potentials   Justin Lemkul
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] visualize gromacs trajectory in VMD   pravin
• [gmx-users] Projecting conformational changes onto PCs   Tsjerk Wassenaar
• [gmx-users] How to provide the FFTW3 install directory   Mirco Wahab
• [gmx-users] visualize gromacs trajectory in VMD   Justin Lemkul
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] Error: illegal instruction (core dumped)   Ly Minh Nhat
• [gmx-users] drug-drug interaction energy   Manuel Azenha
• [gmx-users] MD simulations on a remote workstation   Amjad Farooq
• [gmx-users] MD simulations on a remote workstation   Aldo Segura
• [gmx-users] extended bonds   pratibha
• [gmx-users] MD simulations on a remote workstation   Dr. Vitaly Chaban
• [gmx-users] difference in energy when using -nb cpu   Rafael I. Silverman y de la Vega
• [gmx-users] drug-drug interaction energy   Dr. Vitaly Chaban
• [gmx-users] MD simulations on a remote workstation   Mirco Wahab
• [gmx-users] MD simulations on a remote workstation   Amjad Farooq
• [gmx-users] MD simulations on a remote workstation   Amjad Farooq
• [gmx-users] drug-drug interaction energy   Mark Abraham
• [gmx-users] extended bonds   Mark Abraham
• [gmx-users] MD simulations on a remote workstation   Dr. Vitaly Chaban
• [gmx-users] extended bonds   Dr. Vitaly Chaban
• [gmx-users] extended bonds   Justin Lemkul
• [gmx-users] drug-drug interaction energy   Justin Lemkul
• [gmx-users] MD simulations on a remote workstation   Justin Lemkul
• [gmx-users] PMF from targeted MD vs. Umbrella Sampling/constraints   anaome
• [gmx-users] MD simulations on a remote workstation   Amjad Farooq
• [gmx-users] MD simulations on a remote workstation   Amjad Farooq
• [gmx-users] MD simulations on a remote workstation   Mark Abraham
• [gmx-users] MD simulations on a remote workstation   Justin Lemkul
• [gmx-users] MD simulations on a remote workstation   Mark Abraham
• [gmx-users] How to provide the FFTW3 install directory   Kieu Thu Nguyen
• [gmx-users] How to provide the FFTW3 install directory   Ly Minh Nhat
• [gmx-users] How to provide the FFTW3 install directory   kieuthu2212
• [gmx-users] all-bonds constraints   Juan Munoz-Garcia
• [gmx-users] GPU performance   pratibha
• [gmx-users] all-bonds constraints   Justin Lemkul
• [gmx-users] MD simulations on a remote workstation   Mark Abraham
• [gmx-users] GPU performance   Justin Lemkul
• [gmx-users] drug-drug interaction energy   Manuel Azenha
• [gmx-users] Conserved energy decreases linearly   David van der Spoel
• [gmx-users] Water out of box? Negative Z-Coordinates   GtrAngus
• [gmx-users] Length of .xtc file in frames for C-Code   GtrAngus
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] all-bonds constraints   Juan Munoz-Garcia
• [gmx-users] all-bonds constraints   Mark Abraham
• [gmx-users] all-bonds constraints   Mark Abraham
• [gmx-users] segmentation fault on version 5.0 beta 2   Ly Minh Nhat
• [gmx-users] Length of .xtc file in frames for C-Code   Justin Lemkul
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] a gromacs feature to do TMD like simulation   Saman Shahriyari
• [gmx-users] Length of .xtc file in frames for C-Code   Tsjerk Wassenaar
• [gmx-users] adding metal-bonding parameters to a force field   Tsjerk Wassenaar
• [gmx-users] adding metal-bonding parameters to a force field   Gmail2
• [gmx-users] Gromacs 5 umbrella sampling   Andres Ortega
• [gmx-users] all-bonds constraints   Mark Abraham
• [gmx-users] MD with splitted system   davhak
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] segmentation fault on version 5.0 beta 2   Justin Lemkul
• [gmx-users] MD with splitted system   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Justin Lemkul
• [gmx-users] Length of .xtc file in frames for C-Code   Barnett, James W.
• [gmx-users] Conserved energy decreases linearly   Mark Abraham
• [gmx-users] Length of .xtc file in frames for C-Code   Mark Abraham
• [gmx-users] Length of .xtc file in frames for C-Code   Mirco Wahab
• [gmx-users] Can Ryckaert-Bellemans(RB) function be used to calculate improper dihedrals?   CG
• [gmx-users] Length of .xtc file in frames for C-Code   GtrAngus
• [gmx-users] GPU performance   pratibha
• [gmx-users] 1-D free energy plots using g_sham   richa
• [gmx-users] GPU performance   Mark Abraham
• [gmx-users] 1-D free energy plots using g_sham   Mark Abraham
• [gmx-users] energy groups/GPU and 4.6 vs 5.0   michael.b
• [gmx-users] MD with splitted system   davhak
• [gmx-users] energy groups/GPU and 4.6 vs 5.0   Josip Lovrić
• [gmx-users] energy groups/GPU and 4.6 vs 5.0   Mark Abraham
• [gmx-users] atom labeling in forcefield file and pdb are different   Sanchaita
• [gmx-users] how to create a PEO Residue database   Tom
• [gmx-users] energy groups/GPU and 4.6 vs 5.0   michael.b
• [gmx-users] energy groups/GPU and 4.6 vs 5.0   Josip Lovrić
• [gmx-users] how to create a PEO Residue database   michael.b
• [gmx-users] energy groups/GPU and 4.6 vs 5.0   Mark Abraham
• [gmx-users] Can Ryckaert-Bellemans(RB) function be used to calculate improper dihedrals?   michael.b
• [gmx-users] a gromacs feature to do TMD like simulation   michael.b
• [gmx-users] Regarding 1-d free energy profile from g_sham   richa
• [gmx-users] atom labeling in forcefield file and pdb are different   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Andres Ortega Guerrero
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Andres Ortega Guerrero
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] Gromacs 5 umbrella sampling   Justin Lemkul
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Andres Ortega Guerrero
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] How to prevent box shrinking incessantly at x and y when doing membrane simulation using semiisotropic couple type?   CG
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] Regarding 1-d free energy profile from g_sham   bipin singh
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] part2-adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] gromacs.org_gmx-users Digest, Vol 120, Issue 32   marzieh dehghan
• [gmx-users] part2-adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] part2-adding metal-bonding parameters to a force field   Mark Abraham
• [gmx-users] glycosylated protein simulation   Justin Lemkul
• [gmx-users] part2-adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] glycated insulin (GROMACS)   marzieh dehghan
• [gmx-users] part2-adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] glycated insulin (GROMACS)   Justin Lemkul
• [gmx-users] part2-adding metal-bonding parameters to a force field   Tsjerk Wassenaar
• [gmx-users] glycated insulin (GROMACS)   Rasoul Nasiri
• [gmx-users] problem in simulation mutant p53 protein both in swiss pdb viewer and energy minimization with gromacs   delara aghaie
• [gmx-users] problem in simulation mutant p53 protein both in swiss pdb viewer and energy minimization with gromacs   Justin Lemkul
• [gmx-users] atom labeling in forcefield file and pdb aredifferent   Sanchaita Rajkhowa
• [gmx-users] atom labeling in forcefield file and pdb aredifferent   Justin Lemkul
• [gmx-users] (no subject)   Meenakshi Rajput
• [gmx-users] Calculate heat capacity   maryam haji
• [gmx-users] Calculate heat capacity   maryam haji
• [gmx-users] (no subject)   Mark Abraham
• [gmx-users] (no subject)   Mark Abraham
• [gmx-users] (no subject)   chetan kumar meena
• [gmx-users] Calculate heat capacity   David van der Spoel
• [gmx-users] atomtype c3 not found   Monoj Mon Kalita
• [gmx-users] The sum of the two largest charge group radii is larger than rlist   pratibha
• [gmx-users] The sum of the two largest charge group radii is larger than rlist   Dr. Vitaly Chaban
• [gmx-users] The sum of the two largest charge group radii is larger than rlist   Mark Abraham
• [gmx-users] atomtype c3 not found   Mark Abraham
• [gmx-users] atomtype c3 not found   Mark Abraham
• [gmx-users] The sum of the two largest charge group radii is larger than rlist   pratibha
• [gmx-users] atomtype c3 not found   Monoj Mon Kalita
• [gmx-users] atomtype c3 not found   Justin Lemkul
• [gmx-users] atomtype c3 not found   chetan kumar meena
• [gmx-users] atomtype c3 not found   Justin Lemkul
• [gmx-users] [gmx-developers] modifying nonbonded interaction parameters   Justin Lemkul
• [gmx-users] atomtype c3 not found   Mark Abraham
• [gmx-users] How to redirect the calculation load toward GPU   Dario Corrada
• [gmx-users] How to redirect the calculation load toward GPU   Szilárd Páll
• [gmx-users] How to redirect the calculation load toward GPU   Szilárd Páll
• [gmx-users] First release candidate for GROMACS 5.0 is available   Mark Abraham
• [gmx-users] First release candidate for GROMACS 5.0 is available   Andres Ortega Guerrero
• [gmx-users] refcoord-scaling   Chetan Mahajan
• [gmx-users] Gromacs 5 umbrella sampling   Justin Lemkul
• [gmx-users] Pull code stalling?   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Andres Ortega Guerrero
• [gmx-users] Is something wrong wih my mdp?   chenxianli
• [gmx-users] refcoord-scaling   Mark Abraham
• [gmx-users] Is something wrong wih my mdp?   Mark Abraham
• [gmx-users] Is something wrong wih my mdp?   Mark Abraham
• [gmx-users] Is something wrong wih my mdp?   Kalyan Reddy
• [gmx-users] possible configuration for gromacs gpu compute node   Harry Mark Greenblatt
• [gmx-users] My box size canges somehow   Vytautas
• [gmx-users] possible configuration for gromacs gpu compute node   Mark Abraham
• [gmx-users] Is something wrong wih my mdp?   chenxianli
• [gmx-users] Trj_cavity segmentation fault   Rajeswari A.
• [gmx-users] My box size canges somehow   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Justin Lemkul
• [gmx-users] Is something wrong wih my mdp?   Kalyan Reddy
• [gmx-users] Pull code stalling?   Justin Lemkul
• [gmx-users] Is something wrong wih my mdp?   chenxianli
• [gmx-users] Gromacs 5 umbrella sampling   Andres Ortega Guerrero
• [gmx-users] Is something wrong wih my mdp?   Kalyan Reddy
• [gmx-users] My box size canges somehow   Vytautas
• [gmx-users] My box size canges somehow   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Justin Lemkul
• [gmx-users] How to redirect the calculation load toward GPU   Dario Corrada
• [gmx-users] Atomtype OW not found - spc water model   Carlos Navarrro Retamal
• [gmx-users] Gromacs 5 umbrella sampling   Andres Ortega Guerrero
• [gmx-users] possible configuration for gromacs gpu compute node   Szilárd Páll
• [gmx-users] possible configuration for gromacs gpu compute node   tsikosek
• [gmx-users] Cannot Generate CHARMM36 Topology for POPC with Virtual Sites   Chris Ing
• [gmx-users] Atomtype OW not found - spc water model   Justin Lemkul
• [gmx-users] Gromacs 5 umbrella sampling   Justin Lemkul
• [gmx-users] Cannot Generate CHARMM36 Topology for POPC with Virtual Sites   Justin Lemkul
• [gmx-users] How to redirect the calculation load toward GPU   Mark Abraham
• [gmx-users] refcoord-scaling   Chetan Mahajan
• [gmx-users] Atomtype OW not found - spc water model   Carlos Navarrro Retamal
• [gmx-users] Position restraint coordinates are missing   Yujie Wang
• [gmx-users] Position restraint coordinates are missing   Justin Lemkul
• [gmx-users] Position restraint coordinates are missing   Yujie Wang
• [gmx-users] Position restraint coordinates are missing   Justin Lemkul
• [gmx-users] multiple peptides in the same box   maggin
• [gmx-users] problem in md run   Meenakshi Rajput
• [gmx-users] free energy caculation error   jane
• [gmx-users] My box size canges somehow   Vytautas
• [gmx-users] free energy caculation error   Szilárd Páll
• [gmx-users] atom labeling in forcefield file and pdbaredifferent   Sanchaita Rajkhowa
• [gmx-users] My box size canges somehow   João Henriques
• [gmx-users] multiple peptides in the same box   Justin Lemkul
• [gmx-users] free energy caculation error   Justin Lemkul
• [gmx-users] My box size canges somehow   Justin Lemkul
• [gmx-users] atom labeling in forcefield file and pdbaredifferent   Justin Lemkul
• [gmx-users] Justin tutorial - V-rescale + Parinello-Rahman   Steven Neumann
• [gmx-users] Position restraint coordinates are missing   Yujie Wang
• [gmx-users] Justin tutorial - V-rescale + Parinello-Rahman   Justin Lemkul
• [gmx-users] Justin tutorial - V-rescale + Parinello-Rahman   Steven Neumann
• [gmx-users] Error in g_bar   bipin singh
• [gmx-users] energy components in g_energy   Yutian Yang
• [gmx-users] energy components in g_energy   Mark Abraham
• [gmx-users] [gmx-developers] modifying nonbonded interaction parameters   ibrahim khalil
• [gmx-users] [gmx-developers] modifying nonbonded interaction parameters   Justin Lemkul
• [gmx-users] Justin tutorial - V-rescale + Parinello-Rahman   Andrew S. Paluch
• [gmx-users] PG/PE 3:1 lipid bilayer   madhura khare
• [gmx-users] CHARMM36 force field available for GROMACS   gsettanni
• [gmx-users] PG/PE 3:1 lipid bilayer   Justin Lemkul
• [gmx-users] CHARMM36 force field available for GROMACS   Justin Lemkul
• [gmx-users] PG/PE 3:1 lipid bilayer   Piggot T.
• [gmx-users] free energy caculation error   jane
• [gmx-users] the result of the free energy   jane
• [gmx-users] (no subject)   Nicola Staffolani
• [gmx-users] the result of the free energy   jane
• [gmx-users] the result of the free energy   Justin Lemkul
• [gmx-users] the result of the free energy   bipin singh
• [gmx-users] Energy minimization result problem   neha_bharty
• [gmx-users] Energy minimization result problem   Justin Lemkul
• [gmx-users] question about xvg file   Andrew Bostick
• [gmx-users] question about xvg file   Justin Lemkul
• [gmx-users] question about xvg file   Tsjerk Wassenaar
• [gmx-users] question about xvg file   Tsjerk Wassenaar
• [gmx-users] question about xvg file   Andrew Bostick
• [gmx-users] question about xvg file   Justin Lemkul
• [gmx-users] adding ATP parms to AMBER99   Stephen N. Floor
• [gmx-users] adding ATP parms to AMBER99   Justin Lemkul
• [gmx-users] adding ATP parms to AMBER99   Thomas Piggot
• [gmx-users] multiple peptides in the same box   maggin
• [gmx-users] multiple peptides in the same box   Justin Lemkul
• [gmx-users] adding ATP parms to AMBER99   Alexey Shvetsov
• [gmx-users] Waiting for protein-protein MD tutorial...Justin....!!!!   dhaval patel
• [gmx-users] Waiting for protein-protein MD tutorial...Justin....!!!!   Alexey Shvetsov
• [gmx-users] Waiting for protein-protein MD tutorial...Justin....!!!!   Justin Lemkul
• [gmx-users] Energy minimization result problem   neha_bharty
• [gmx-users] No default U-B types in CHARMM36 FF   Albert
• [gmx-users] No default U-B types in CHARMM36 FF   Mark Abraham
• [gmx-users] Energy minimization result problem   Mark Abraham
• [gmx-users] multiple peptides in the same box   Mark Abraham
• [gmx-users] No default U-B types in CHARMM36 FF   Albert
• [gmx-users] No default U-B types in CHARMM36 FF   Justin Lemkul
• [gmx-users] No default U-B types in CHARMM36 FF   Mark Abraham
• [gmx-users] No default U-B types in CHARMM36 FF   Albert
• [gmx-users] No default U-B types in CHARMM36 FF   Justin Lemkul
• [gmx-users] No default U-B types in CHARMM36 FF   Albert
• [gmx-users] No default U-B types in CHARMM36 FF   Justin Lemkul
• [gmx-users] No default U-B types in CHARMM36 FF   Albert
• [gmx-users] No default U-B types in CHARMM36 FF   Justin Lemkul
• [gmx-users] make_ndx, boolean operations   Dr. Vitaly Chaban
• [gmx-users] make_ndx, boolean operations   Dr. Vitaly Chaban
• [gmx-users] make_ndx, boolean operations   Mark Abraham
• [gmx-users] Position restraints and double precision   Miguel Caro
• [gmx-users] Position restraints and double precision   Justin Lemkul
• [gmx-users] Position restraints and double precision   Miguel Caro
• [gmx-users] Determining interactions in Protein-Ligand complex simulations   MUSYOKA THOMMAS
• [gmx-users] How to do Monte Carlo in gmx   xiao
• [gmx-users] How to do Monte Carlo in gmx   Justin Lemkul
• [gmx-users] Determining interactions in Protein-Ligand complex simulations   Justin Lemkul
• [gmx-users] How to do Monte Carlo in gmx   Mark Abraham
• [gmx-users] negative HB lifetime   Benrezkallah Djamila
• [gmx-users] g_select help   Deepak Ojha
• [gmx-users] g_chi-like analysis for nucleic acid residues   sbowerma
• [gmx-users] g_chi-like analysis for nucleic acid residues   Justin Lemkul
• [gmx-users] adding ATP parms to AMBER99   Stephen N. Floor
• [gmx-users] g_chi-like analysis for nucleic acid residues   sbowerma
• [gmx-users] g_chi-like analysis for nucleic acid residues   Justin Lemkul
• [gmx-users] g_chi-like analysis for nucleic acid residues   Josip Lovrić
• [gmx-users] g_chi-like analysis for nucleic acid residues   sbowerma
• [gmx-users] g_chi-like analysis for nucleic acid residues   Josip Lovrić
• [gmx-users] Segfault using Verlet-list with Gromacs 4.6.5 - MPI only   Sébastien Côté
• [gmx-users] Aromatic rings not plane after minimization   Pierre THEVENET
• [gmx-users] Ligand observables in a protein-ligand simulation   MUSYOKA THOMMAS
• [gmx-users] Ligand observables in a protein-ligand simulation   Mark Abraham
• [gmx-users] Aromatic rings not plane after minimization   Mark Abraham
• [gmx-users] Segfault using Verlet-list with Gromacs 4.6.5 - MPI only   Mark Abraham
• [gmx-users] part2-adding metal-bonding parameters to a force field   Ahmet yıldırım
• [gmx-users] part2-adding metal-bonding parameters to a force field   Justin Lemkul
• [gmx-users] Ligand observables in a protein-ligand simulation   MUSYOKA THOMMAS
• [gmx-users] Ligand observables in a protein-ligand simulation   Justin Lemkul
• [gmx-users] Degrees of freedom for each atom ?   diptipotdar
• [gmx-users] Aromatic rings not plane after minimization   Dr. Vitaly Chaban
• [gmx-users] Degrees of freedom for each atom ?   Justin Lemkul
• [gmx-users] Aromatic rings not plane after minimization   Pierre THEVENET
• [gmx-users] Aromatic rings not plane after minimization   Justin Lemkul
• [gmx-users] Aromatic rings not plane after minimization   Mark Abraham
• [gmx-users] Aromatic rings not plane after minimization   Pierre THEVENET
• [gmx-users] Aromatic rings not plane after minimization   Justin Lemkul
• [gmx-users] Aromatic rings not plane after minimization   Pierre THEVENET
• [gmx-users] which forcefields are parametrized for implicit solvent models?   hanna pdb
• [gmx-users] g_current   Nilesh Dhumal
• [gmx-users] g_current   Justin Lemkul
• [gmx-users] g_current   Nilesh Dhumal
• [gmx-users] g_current   Justin Lemkul
• [gmx-users] g_current   Nilesh Dhumal
• [gmx-users] g_current   Justin Lemkul
• [gmx-users] g_current   Nilesh Dhumal
• [gmx-users] g_current   Justin Lemkul
• [gmx-users] Potential for Frozen atoms   sukriti002
• [gmx-users] Vibrational spectrum from normal mode analysis - regd   ramesh cheerla
• [gmx-users] SDS parameters   Rebeca García Fandiño
• [gmx-users] how to use g_angle to get the average dihedral angle ?   maggin
• [gmx-users] SDS parameters   Rebeca García Fandiño
• [gmx-users] SDS parameters   ABEL Stephane 175950
• [gmx-users] genconf of box of a few types of molecules   Valentina
• [gmx-users] genconf of box of a few types of molecules   Mark Abraham
• [gmx-users] Potential for Frozen atoms   Valentina
• [gmx-users] how to use g_angle to get the average dihedral angle ?   Valentina
• [gmx-users] genconf of box of a few types of molecules   Tsjerk Wassenaar
• [gmx-users] Conserved Energy in csvr NVT runs   janos.daru
• [gmx-users] Potential for Frozen atoms   Justin Lemkul
• [gmx-users] Degrees of freedom for each atom ?   diptipotdar
• [gmx-users] Segfault using Verlet-list with Gromacs 4.6.5 - MPI only   Sébastien Côté
• [gmx-users] REMD, demux after 100 ns per replica   aperez
• [gmx-users] REMD, demux after 100 ns per replica   Mark Abraham
• [gmx-users] Conserved Energy in csvr NVT runs   Mark Abraham
• [gmx-users] Number of contacts matrix   Raphael
• [gmx-users] negative HB lifetime   Erik Marklund
• [gmx-users] REMD, demux after 100 ns per replica   Christopher Neale
• [gmx-users] Is there a tool for calculating mechanical properties of materials using GROMACS   xiaowu759
• [gmx-users] Potential for Frozen atoms   sukriti002
• [gmx-users] Potential for Frozen atoms   sukriti002
• [gmx-users] Is there a tool for calculating mechanical properties of materials using GROMACS   Mark Abraham
• [gmx-users] segmentation fault   Meenakshi Rajput
• [gmx-users] segmentation fault   Meenakshi Rajput
• [gmx-users] Potential for Frozen atoms   Mark Abraham
• [gmx-users] Fuse Protein and non Protein Part of Ligand   Archer
• [gmx-users] Potential for Frozen atoms   Dr. Vitaly Chaban
• [gmx-users] segmentation fault   Mark Abraham
• [gmx-users] genconf of box of a few types of molecules   Valentina
• [gmx-users] Potential for Frozen atoms   Valentina
• [gmx-users] H-bond analysis   michael.b
• [gmx-users] negative HB lifetime   Djamila
• [gmx-users] Conserved Energy in csvr NVT runs   Janos Daru
• [gmx-users] Using GPU to do simulations   mircial at sjtu.edu.cn
• [gmx-users] Using GPU to do simulations   Justin Lemkul
• [gmx-users] Using GPU to do simulations   Szilárd Páll
• [gmx-users] Using GPU to do simulations   Szilárd Páll
• [gmx-users] pdb2gmx yielding (a couple of) -nan values for coordinates of built hydrogen atoms   Christopher Neale
• [gmx-users] pdb2gmx yielding (a couple of) -nan values for coordinates of built hydrogen atoms   Mark Abraham
• [gmx-users] Md simulation mdp options error   Ankita Naithani
• [gmx-users] Md simulation mdp options error   Justin Lemkul
• [gmx-users] Md simulation mdp options error   Ankita Naithani
• [gmx-users] Md simulation mdp options error   Justin Lemkul
• [gmx-users] Md simulation mdp options error   Ankita Naithani
• [gmx-users] Md simulation mdp options error   Justin Lemkul
• [gmx-users] Md simulation mdp options error   Ankita Naithani
• [gmx-users] pdb2gmx yielding (a couple of) -nan values for coordinates of built hydrogen atoms   Christopher Neale
• [gmx-users] Md simulation mdp options error   Justin Lemkul
• [gmx-users] Dipole moment calculations   Nilesh Dhumal
• [gmx-users] How to explain the phenomenon of -genbox?   maggin
• [gmx-users] mpirun error   maggin
• [gmx-users] How to explain the phenomenon of -genbox?   Justin Lemkul
• [gmx-users] mpirun error   Justin Lemkul
• [gmx-users] mpirun error   maggin
• [gmx-users] mpirun error   Justin Lemkul
• [gmx-users] How to explain the phenomenon of -genbox?   maggin
• [gmx-users] Reproducibility in free energy calculations.   sujithkakkat .
• [gmx-users] Erro in SMD simulation..   Kalyanashis
• [gmx-users] Reproducibility in free energy calculations.   Justin Lemkul
• [gmx-users] Reproducibility in free energy calculations.   Michael Shirts
• [gmx-users] about tutorial on virtual sites   sujithkakkat .
• [gmx-users] running parallel simulations on different of cores   Muthukumaran R
• [gmx-users] Specifying the number of OpenMP threads that g_hbond uses   Andrew DeYoung
• [gmx-users] how to fix center of mass   Tom
• [gmx-users] GCMC?   Tom
• [gmx-users] GCMC?   Mark Abraham
• [gmx-users] about tutorial on virtual sites   Justin Lemkul
• [gmx-users] Specifying the number of OpenMP threads that g_hbond uses   Justin Lemkul
• [gmx-users] REMD, demux after 100 ns per replica   Christopher Neale
• [gmx-users] Verlet cut-off with shell   Mikhail Stukan
• [gmx-users] Verlet cut-off with shell   Justin Lemkul
• [gmx-users] one initial configuration on two different system   Mahboobeh Eslami
• [gmx-users] one initial configuration on two different system   Justin Lemkul
• [gmx-users] Position Restraints with NVT and NPT   zanemarkson
• [gmx-users] Position Restraints with NVT and NPT   Justin Lemkul
• [gmx-users] Fwd: Concatenating two trajectories   sunita gupta
• [gmx-users] System coordinates not getting freezed   sukriti002
• [gmx-users] Fwd: Concatenating two trajectories   Venkat Reddy
• [gmx-users] Fwd: Concatenating two trajectories   Sunita
• [gmx-users] About cutoffs for OPLSAA   sujithkakkat .
• [gmx-users] Fwd: Concatenating two trajectories   Venkat Reddy
• [gmx-users] Position Restraints with NVT and NPT   zanemarkson
• [gmx-users] Fwd: Concatenating two trajectories   Sunita
• [gmx-users] Fwd: Concatenating two trajectories   Venkat Reddy
• [gmx-users] System coordinates not getting freezed   Mark Abraham
• [gmx-users] Concatenating two trajectories   Monoj Mon Kalita
• [gmx-users] Position Restraints with NVT and NPT   Mark Abraham
• [gmx-users] Fwd: Concatenating two trajectories   Mark Abraham
• [gmx-users] Fwd: Concatenating two trajectories   Tsjerk Wassenaar
• [gmx-users] Fwd: Concatenating two trajectories   Venkat Reddy
• [gmx-users] all-angles   Maria Astón Serrano
• [gmx-users] how to couple a organic molecule in water   xiao
• [gmx-users] g_potential help   rajat desikan
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Andrew Bostick
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Mark Abraham
• [gmx-users] Brownian Dynamics   Yutian Yang
• [gmx-users] H-bond analysis   Erik Marklund
• [gmx-users] negative HB lifetime   Erik Marklund
• [gmx-users] How to fix or constrain Center of Mass   Tom
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Andrew Bostick
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Mark Abraham
• [gmx-users] all-angles   Justin Lemkul
• [gmx-users] how to couple a organic molecule in water   Justin Lemkul
• [gmx-users] g_potential help   Justin Lemkul
• [gmx-users] How to fix or constrain Center of Mass   Justin Lemkul
• [gmx-users] [gmx-developers] Regarding Amber topology and co-ordinate file   Justin Lemkul
• [gmx-users] Using a forcefield from NAMD   Ali Khan
• [gmx-users] how to couple a organic molecule in water   xiao
• [gmx-users] g_potential help   rajat desikan
• [gmx-users] Using a forcefield from NAMD   Justin Lemkul
• [gmx-users] g_potential help   Justin Lemkul
• [gmx-users] calculation speed of GROMACS and cut off parameters   mircial at sjtu.edu.cn
• [gmx-users] calculation speed of GROMACS and cut off parameters   Justin Lemkul
• [gmx-users] g_potential help   rajat desikan
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Andrew Bostick
• [gmx-users] Fwd: Concatenating two trajectories   Sunita
• [gmx-users] No default U-B types   Shima Arasteh
• [gmx-users] Fwd: Concatenating two trajectories   Venkat Reddy
• [gmx-users] deprecating the Nabble forums   Rossen Apostolov
• [gmx-users] negative HB lifetime   Erik Marklund
• [gmx-users] No default U-B types   Justin Lemkul
• [gmx-users] gromacs.org_gmx-users Digest, Vol 120, Issue 95   sunita gupta
• [gmx-users] gromacs.org_gmx-users Digest, Vol 120, Issue 95   Justin Lemkul
• [gmx-users] Protein in energygrp_excl is not an energy group   Rebeca García Fandiño
• [gmx-users] Silica Nanoparticles   Kazem Sepehrinia
• [gmx-users] Protein in energygrp_excl is not an energy group   Justin Lemkul
• [gmx-users] Silica Nanoparticles   Justin Lemkul
• [gmx-users] REMD, demux after 100 ns per replica   aperez
• [gmx-users] qmmm integration (g09)   g shomo
• [gmx-users] Silica Nanoparticles   Suzen, Mehmet
• [gmx-users] Silica Nanoparticles   Kazem Sepehrinia
• [gmx-users] skipping the EM, NPT and NVT for re-run   Saman Shahriyari
• [gmx-users] Protein Ligand Interaction or Docking using Gromacs   neha_bharty
• [gmx-users] Protein Ligand Interaction or Docking using Gromacs   Kalyan Reddy
• [gmx-users] Protein Ligand Interaction or Docking using Gromacs   ms
• [gmx-users] Protein Ligand Interaction or Docking using Gromacs   ms
• [gmx-users] Protein Ligand Interaction or Docking using Gromacs   andrea
• [gmx-users] Protein Ligand Interaction or Docking using Gromacs   bipin singh
• [gmx-users] Non-neutral system   Ali Alizadeh
• [gmx-users] Non-neutral system   Carsten Kutzner
• [gmx-users] Non-neutral system   Ali Alizadeh
• [gmx-users] skipping the EM, NPT and NVT for re-run   Justin Lemkul
• [gmx-users] Special bond between metallic layers & protein   fantaman
• [gmx-users] Special bond between metallic layers & protein   Mark Abraham
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Rafael I. Silverman y de la Vega
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Nicolas Cheron
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Rafael I. Silverman y de la Vega
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Mark Abraham
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Rafael I. Silverman y de la Vega
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Justin Lemkul
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Rafael I. Silverman y de la Vega
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Mark Abraham
• [gmx-users] problem with chimera opening gromacs 4.6.5 trajectories   Christian Wagner
• [gmx-users] Special bond between metallic layers & protein   Nicola Staffolani
• [gmx-users] normal mode analysis - regd   ramesh cheerla
• [gmx-users] Special bond between metallic layers & protein   Nicola Staffolani
• [gmx-users] Non-neutral system   Ali Alizadeh
• [gmx-users] Com pulling in reverse Z direction in SMD simulation..   Kalyanashis
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Andrew Bostick
• [gmx-users] make install creating infinite recursive directories   Harry Mark Greenblatt
• [gmx-users] Com pulling in reverse Z direction in SMD simulation..   Justin Lemkul
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Mark Abraham
• [gmx-users] make install creating infinite recursive directories: addendum   Harry Mark Greenblatt
• [gmx-users] QM/MM simulations   Iamkaant
• [gmx-users] Com pulling in reverse Z direction in SMD simulation..   Kalyanashis
• [gmx-users] QM/MM simulations   Justin Lemkul
• [gmx-users] Com pulling in reverse Z direction in SMD simulation..   Justin Lemkul
• [gmx-users] QM/MM simulations   Iamkaant
• [gmx-users] QM/MM simulations   Justin Lemkul
• [gmx-users] Com pulling in reverse Z direction in SMD simulation..   Kalyanashis
• [gmx-users] make install creating infinite recursive directories: addendum   Mark Abraham
• [gmx-users] make install creating infinite recursive directories: addendum   Harry Mark Greenblatt
• [gmx-users] compilation issues with GCC/clang/CUDA on OSX   Stephen N. Floor
• [gmx-users] how to manipulate solute-solvent interactions in ff to get the correct solvation free energy?   Golshan Hejazi
• [gmx-users] skipping the EM, NPT and NVT for re-run   Justin Lemkul
• [gmx-users] how to manipulate solute-solvent interactions in ff to get the correct solvation free energy?   Justin Lemkul
• [gmx-users] High Pressure with Martini system   Ricardo O. S. Soares
• [gmx-users] High Pressure with Martini system   Mirco Wahab
• [gmx-users] High Pressure with Martini system   Tsjerk Wassenaar
• [gmx-users] NPT simulation stage   Mahboobeh Eslami
• [gmx-users] NPT simulation stage   Justin Lemkul
• [gmx-users] MD simullations with Morse potential   fantasticqhl
• [gmx-users] compilation issues with GCC/clang/CUDA on OSX   Anders Gabrielsson
• [gmx-users] QM/MM simulations   Iamkaant
• [gmx-users] QM/MM simulations   Justin Lemkul
• [gmx-users] MD simullations with Morse potential   Justin Lemkul
• [gmx-users] compilation issues with GCC/clang/CUDA on OSX   Stephen N. Floor
• [gmx-users] High Pressure with Martini system   Ricardo O. S. Soares
• [gmx-users] High Pressure with Martini system   Ricardo O. S. Soares
• [gmx-users] High Pressure with Martini system   Tsjerk Wassenaar
• [gmx-users] MD simullations with Morse potential   fantasticqhl
• [gmx-users] MD simullations with Morse potential   Justin Lemkul
• [gmx-users] MD simullations with Morse potential   Tsjerk Wassenaar
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Andrew Bostick
• [gmx-users] Help regarding potential energy   Gaurav Saraf IDD M Tech Biochem. Engg, IIT (BHU)
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Justin Lemkul
• [gmx-users] Help regarding potential energy   Justin Lemkul
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Andrew Bostick
• [gmx-users] Cannot write trajectory frame; maybe you are out of disk space   Justin Lemkul
• [gmx-users] High Pressure with Martini system   Ricardo O. S. Soares
• [gmx-users] High Pressure with Martini system   Tsjerk Wassenaar
• [gmx-users] (no subject)   Swetha Srinivasan
• [gmx-users] (no subject)   Swetha Srinivasan
• [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] MD simullations with Morse potential   fantasticqhl
• [gmx-users] MD simullations with Morse potential   fantasticqhl
• [gmx-users] make install creating infinite recursive directories: addendum   Harry Mark Greenblatt
• [gmx-users] MD simullations with Morse potential   Tsjerk Wassenaar
• [gmx-users] MD simullations with Morse potential   fantasticqhl
• [gmx-users] NPT simulation stage   Mahboobeh Eslami
• [gmx-users] make install creating infinite recursive directories: addendum   Mark Abraham
• [gmx-users] make install creating infinite recursive directories: addendum   Harry Mark Greenblatt
• [gmx-users] NPT simulation stage   Justin Lemkul
• [gmx-users] NPT simulation stage   Swetha Srinivasan
• [gmx-users] guanidinium in water   Justin Lemkul
• [gmx-users] guanidinium in water   Swetha Srinivasan
• [gmx-users] guanidinium in water   Justin Lemkul
• [gmx-users] guanidinium in water   Swetha Srinivasan
• [gmx-users] guanidinium in water   Justin Lemkul
• [gmx-users] (no subject)   Swetha Srinivasan
• [gmx-users] (no subject)   Swetha Srinivasan
• [gmx-users] guanidinium in water   Swetha Srinivasan
• [gmx-users] guanidinium in water   Justin Lemkul
• [gmx-users] g_dipoles   Nilesh Dhumal
• [gmx-users] g_dipoles   Justin Lemkul
• [gmx-users] g_dipoles   Nilesh Dhumal
• [gmx-users] g_dipoles   Justin Lemkul
• [gmx-users] g_dipoles   Nilesh Dhumal
• [gmx-users] g_dipoles   Justin Lemkul
• [gmx-users] SWCNT interaction with the outside of an ion channel   Andres Ortega
• [gmx-users] constraint center of mass   Tom
• [gmx-users] Converging the system to 300K and 1bar   Gaurav Saraf IDD M Tech Biochem. Engg, IIT (BHU)
• [gmx-users] LINCS warning   Gaurav Saraf IDD M Tech Biochem. Engg, IIT (BHU)
• [gmx-users] compilation issues with GCC/clang/CUDA on OSX   Anders Gabrielsson
• [gmx-users] NPT simulation stage   Ali Alizadeh
• [gmx-users] NPT simulation stage   Mahboobeh Eslami
• [gmx-users] NPT simulation stage   Mahboobeh Eslami
• [gmx-users] NPT simulation stage   Ali Alizadeh
• [gmx-users] NPT simulation stage   Justin Lemkul
• [gmx-users] Converging the system to 300K and 1bar   Justin Lemkul
• [gmx-users] LINCS warning   Justin Lemkul
• [gmx-users] NPT simulation stage   Mahboobeh Eslami
• [gmx-users] tabulated potentials - cutoff   Sabine Reisser
• [gmx-users] Azurin protein attached to metal atom of Cu.   Alessia Giuliani
• [gmx-users] define new bond   fantaman
• [gmx-users] Azurin protein attached to metal atom of Cu.   Justin Lemkul
• [gmx-users] tabulated potentials - cutoff   Justin Lemkul
• [gmx-users] define new bond   Justin Lemkul
• [gmx-users] constraint center of mass   Mark Abraham
• [gmx-users] Force magnitude in SMD pull_geometry options   Magdalena von Essen
• [gmx-users] QM/MM simulations   Iamkaant
• [gmx-users] QM/MM simulations   Iamkaant
• [gmx-users] special bond   fantaman
• [gmx-users] Is viscosity increasing in the system due to the protein unfolding?   fatemeh ramezani
• [gmx-users] Is viscosity increasing in the system due to the protein unfolding?   Dr. Vitaly Chaban
• [gmx-users] QM/MM simulations   Justin Lemkul
• [gmx-users] special bond   Justin Lemkul
• [gmx-users] special bond   Nicola Staffolani
• [gmx-users] special bond   Justin Lemkul
• [gmx-users] special bond   Nicola Staffolani
• [gmx-users] special bond   Justin Lemkul
• [gmx-users] pdb2gmx, charmm22 and HEME   Erik Marklund
• [gmx-users] pdb2gmx, charmm22 and HEME   Justin Lemkul
• [gmx-users] gromacs 5.0   gejingming
• [gmx-users] gromacs 5.0   Justin Lemkul
• [gmx-users] gromacs 5.0   Carsten Kutzner
• [gmx-users] Write a pdb file after every ns of simulation   MUSYOKA THOMMAS
• [gmx-users] pdb2gmx, charmm22 and HEME   Erik Marklund
• [gmx-users] special bond   Nicola Staffolani
• [gmx-users] Write a pdb file after every ns of simulation   Tsjerk Wassenaar
• [gmx-users] Write a pdb file after every ns of simulation   MUSYOKA THOMMAS
• [gmx-users] Write a pdb file after every ns of simulation   Erik Marklund
• [gmx-users] Write a pdb file after every ns of simulation   Tsjerk Wassenaar
• [gmx-users] Write a pdb file after every ns of simulation   MUSYOKA THOMMAS
• [gmx-users] Azurin protein attached to metal atom of Cu.   Justin Lemkul
• [gmx-users] special bond   Justin Lemkul
• [gmx-users] Amber to Gromacs   Nash, Anthony
• [gmx-users] Amber to Gromacs   Justin Lemkul
• [gmx-users] Questions about g_energy output values Coul-SR, LJ-SR, Coul-14, LJ-14   Vytautas Rakeviius
• [gmx-users] Questions about g_energy output values Coul-SR, LJ-SR, Coul-14, LJ-14   Justin Lemkul
• [gmx-users] Amber to Gromacs   Nash, Anthony
• [gmx-users] Azurin protein attached to metal atom of Cu.   Nicola Staffolani
• [gmx-users] Azurin protein attached to metal atom of Cu.   Justin Lemkul
• [gmx-users] Amber to Gromacs   Nash, Anthony
• [gmx-users] Amber to Gromacs   Justin Lemkul

Last message date: Wed Apr 30 18:52:09 CEST 2014
Archived on: Wed Apr 30 18:52:11 CEST 2014

• Messages sorted by: [ thread ] [ subject ] [ author ]
• More info on this list...