Messages by Date
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2013/11/14
[gmx-users] mailing list migration
Rossen Apostolov
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2013/11/13
[gmx-users] shear viscosity
Ahmet yıldırım
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2013/11/13
[gmx-users] remd
Shine A
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2013/11/13
[gmx-users] (no subject)
Shine A
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2013/11/13
[gmx-users] GROMACS-4.6.3 CUDA version on multiple nodes each having 2 GPUs
Prajapati, Jigneshkumar Dahyabhai
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2013/11/13
Re: [gmx-users] GROMACS 4.6.4 is released
jkrieger
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2013/11/13
[gmx-users] GROMACS 4.6.4 is released
Mark Abraham
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2013/11/13
Re: [gmx-users] Invalid order for directive defaults
Justin Lemkul
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2013/11/13
[gmx-users] Invalid order for directive defaults
Atila Petrosian
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2013/11/13
Re: [gmx-users] Invalid order for directive defaults
Justin Lemkul
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2013/11/13
[gmx-users] Invalid order for directive defaults
Atila Petrosian
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2013/11/13
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Justin Lemkul
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2013/11/13
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Venkat Reddy
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2013/11/13
Re: [gmx-users] error while running pdb2gmx
Mark Abraham
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2013/11/13
Re: [gmx-users] Recompile Gromacs 4.6.3
Mark Abraham
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2013/11/13
Re: [gmx-users] How to construct mixed lipid bilayer
Arun kumar V
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2013/11/13
Re: [gmx-users] How to construct mixed lipid bilayer
rajat desikan
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2013/11/13
Re: [gmx-users] How to construct mixed lipid bilayer
Arun kumar V
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2013/11/13
Re: [gmx-users] error while running pdb2gmx
Justin Lemkul
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2013/11/13
Re: [gmx-users] Invalid order for directive defaults
Justin Lemkul
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2013/11/13
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Justin Lemkul
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2013/11/13
[gmx-users] Recompile Gromacs 4.6.3
Jheng Wei Li
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2013/11/13
[gmx-users] How to construct mixed lipid bilayer
Nikhil Agrawal
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2013/11/13
[gmx-users] about my single point calculation
fantasticqhl
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2013/11/13
[gmx-users] Invalid order for directive defaults
Atila Petrosian
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2013/11/13
[gmx-users] error while running pdb2gmx
hasthi
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2013/11/13
[gmx-users] Invalid order for directive defaults
Atila Petrosian
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2013/11/13
Re: [gmx-users] Re: Bilayer COM removal issue: Large VCM
rajat desikan
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2013/11/13
Re: [gmx-users] Re: Bilayer COM removal issue: Large VCM
rajat desikan
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2013/11/13
Re: [gmx-users] help about ibi
Mark Abraham
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2013/11/13
Re: [gmx-users] Re: Bilayer COM removal issue: Large VCM
Tsjerk Wassenaar
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2013/11/12
[gmx-users] Re: Bilayer COM removal issue: Large VCM
rajat desikan
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Venkat Reddy
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2013/11/12
[gmx-users] help about ibi
guozhicheng222
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2013/11/12
Re: [gmx-users] Re: Change in the position of structural Zinc and calcium ions during MD
Justin Lemkul
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2013/11/12
Re: mdrun on 8-core AMD + GTX TITAN (was: Re: [gmx-users] Re: Gromacs-4.6 on two Titans GPUs)
Dwey Kauffman
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Thomas Piggot
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2013/11/12
[gmx-users] Re: Change in the position of structural Zinc and calcium ions during MD
Rama
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Justin Lemkul
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Venkat Reddy
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2013/11/12
Re: [gmx-users] Change in the positon of structural Zinc and calcium ions during MD
Justin Lemkul
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Justin Lemkul
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2013/11/12
[gmx-users] Change in the positon of structural Zinc and calcium ions during MD
Rama
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Venkat Reddy
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2013/11/12
Re: [gmx-users] Re: segmentation fault on gromacs 4.5.5 after mdrun
Justin Lemkul
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2013/11/12
[gmx-users] Re: segmentation fault on gromacs 4.5.5 after mdrun
cjalmeciga
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2013/11/12
Re: [gmx-users] Re: Restarting a simulation after replacing an empty md.trr file
Justin Lemkul
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2013/11/12
[gmx-users] Re: Restarting a simulation after replacing an empty md.trr file
arunjones
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Justin Lemkul
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Venkat Reddy
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2013/11/12
Re: [gmx-users] Re: Restarting a simulation after replacing an empty md.trr file
Justin Lemkul
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2013/11/12
Re: [gmx-users] Re: segmentation fault on gromacs 4.5.5 after mdrun
Justin Lemkul
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2013/11/12
[gmx-users] Re: Restarting a simulation after replacing an empty md.trr file
arunjones
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2013/11/12
[gmx-users] Re: segmentation fault on gromacs 4.5.5 after mdrun
cjalmeciga
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2013/11/12
Re: [gmx-users] Invalid order for directive defaults
Justin Lemkul
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2013/11/12
Re: mdrun on 8-core AMD + GTX TITAN (was: Re: [gmx-users] Re: Gromacs-4.6 on two Titans GPUs)
Szilárd Páll
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2013/11/12
[gmx-users] Invalid order for directive defaults
Atila Petrosian
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2013/11/12
[gmx-users] Re: ok, thank you
Williams Ernesto Miranda Delgado
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Justin Lemkul
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Venkat Reddy
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2013/11/12
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/12
Re: [gmx-users] Re: g_analyze
bharat gupta
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2013/11/12
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/12
Re: [gmx-users] Restarting a simulation after replacing an empty md.trr file
Justin Lemkul
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2013/11/12
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/12
Re: [gmx-users] Re: Reaction field zero and ions
Dr. Vitaly Chaban
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2013/11/12
Re: [gmx-users] Calculating diffusion coefficient in three dimension
Dr. Vitaly Chaban
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2013/11/12
Re: [gmx-users] Re: Reaction field zero and ions
Justin Lemkul
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2013/11/12
[gmx-users] Restarting a simulation after replacing an empty md.trr file
arun kumar
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2013/11/12
Re: [gmx-users] hydrogen bond calculation problem
Justin Lemkul
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2013/11/12
[gmx-users] Calculating diffusion coefficient in three dimension
Venkat Reddy
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2013/11/12
[gmx-users] Re: installation error under openSuse 12.2
kolnkempff
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2013/11/12
[gmx-users] installation error under openSuse 12.2
Christoph Junghans
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2013/11/12
Re: [gmx-users] Re: g_analyze
bharat gupta
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2013/11/12
Re: [gmx-users] Re: g_analyze
bharat gupta
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2013/11/11
[gmx-users] hydrogen bond calculation problem
Sushma Yadav
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2013/11/11
[gmx-users] Re: Reaction field zero and ions
Williams Ernesto Miranda Delgado
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2013/11/11
Re: [gmx-users] installation error under openSuse 12.2
Justin Lemkul
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2013/11/11
[gmx-users] segmentation fault on gromacs 4.5.5 after mdrun
Carlos Javier Almeciga Diaz
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2013/11/11
Re: [gmx-users] segmentation fault on gromacs 4.5.5 after mdrun
Justin Lemkul
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2013/11/11
[gmx-users] installation error under openSuse 12.2
kolnkempff
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2013/11/11
Re: [gmx-users] help about logfile
Justin Lemkul
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2013/11/11
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/11
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/11
[gmx-users] help about logfile
guozhicheng222
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2013/11/11
Re: [gmx-users] Re: g_analyze
bharat gupta
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2013/11/10
Re: [gmx-users] Re: g_analyze
bharat gupta
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2013/11/10
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/10
Re: [gmx-users] Re: g_analyze
bharat gupta
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2013/11/10
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/10
Re: [gmx-users] Re: g_analyze
bharat gupta
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2013/11/10
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/10
[gmx-users] Re: Thankful
Williams Ernesto Miranda Delgado
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2013/11/10
Re: [gmx-users] Re: g_analyze
bharat gupta
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2013/11/10
[gmx-users] Bilayer COM removal issue: Large VCM
rajat desikan
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2013/11/10
Re: [gmx-users] Umbrella Sampling tutorial
Justin Lemkul
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2013/11/10
[gmx-users] Umbrella Sampling tutorial
shahab shariati
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2013/11/10
Re: [gmx-users] problem in running mdrun command
Mark Abraham
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2013/11/10
Re: [gmx-users] Umbrella Sampling tutorial
Justin Lemkul
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2013/11/10
Re: [gmx-users] Re: g_analyze
Justin Lemkul
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2013/11/10
[gmx-users] problem in running mdrun command
S.Chandra Shekar
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2013/11/10
[gmx-users] Re: choosing force field
pratibha
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2013/11/10
[gmx-users] Umbrella Sampling tutorial
shahab shariati
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2013/11/10
Re: mdrun on 8-core AMD + GTX TITAN (was: Re: [gmx-users] Re: Gromacs-4.6 on two Titans GPUs)
Mark Abraham
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2013/11/10
Re: [gmx-users] About Compiler Compatibility for Gromacs 4.6.2 Compilation
Mark Abraham
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2013/11/09
[gmx-users] About Compiler Compatibility for Gromacs 4.6.2 Compilation
vidhya sankar
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2013/11/09
[gmx-users] Re: g_analyze
bharat gupta
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2013/11/09
Re: mdrun on 8-core AMD + GTX TITAN (was: Re: [gmx-users] Re: Gromacs-4.6 on two Titans GPUs)
Dwey Kauffman
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2013/11/09
Re: [gmx-users] Re: CHARMM .mdp settings for GPU
Justin Lemkul
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2013/11/09
[gmx-users] Re: CHARMM .mdp settings for GPU
Gianluca Interlandi
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2013/11/09
Re: [gmx-users] Re: CHARMM .mdp settings for GPU
Justin Lemkul
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2013/11/09
[gmx-users] Re: CHARMM .mdp settings for GPU
rajat desikan
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2013/11/09
Re: [gmx-users] Trouble calculating MSD after removing COM for upper and lower leaflets
rajat desikan
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2013/11/09
Re: [gmx-users] Reproducing results with independent runs
Mark Abraham
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2013/11/09
Re: [gmx-users] Trouble calculating MSD after removing COM for upper and lower leaflets
Justin Lemkul
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2013/11/09
Re: [gmx-users] Trouble calculating MSD after removing COM for upper and lower leaflets
rajat desikan
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2013/11/09
Re: [gmx-users] Umbrella Sampling tutorial
Justin Lemkul
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2013/11/09
[gmx-users] Umbrella Sampling tutorial
shahab shariati
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2013/11/09
Re: [gmx-users] Re: Ligand simulation for LIE with PME
Justin Lemkul
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2013/11/09
Re: [gmx-users] Simulation box size, LIE and PME
Justin Lemkul
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2013/11/09
Re: [gmx-users] Umbrella Sampling tutorial
Justin Lemkul
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2013/11/09
Re: [gmx-users] Trouble calculating MSD after removing COM for upper and lower leaflets
Justin Lemkul
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2013/11/09
Re: [gmx-users] Re: choosing force field
Justin Lemkul
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2013/11/09
[gmx-users] Umbrella Sampling tutorial
shahab shariati
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2013/11/09
[gmx-users] Trouble calculating MSD after removing COM for upper and lower leaflets
rajat desikan
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2013/11/09
[gmx-users] Reproducing results with independent runs
alex.bjorling
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2013/11/09
[gmx-users] free energy
kiana moghaddam
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2013/11/08
[gmx-users] Re: choosing force field
pratibha
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2013/11/08
[gmx-users] Reaction field zero, ions, twin-range and LIE
Williams Ernesto Miranda Delgado
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2013/11/08
[gmx-users] Re: Ligand simulation for LIE with PME
Williams Ernesto Miranda Delgado
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2013/11/08
[gmx-users] Simulation box size, LIE and PME
Williams Ernesto Miranda Delgado
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2013/11/08
[gmx-users] Re: free energy
kghm
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2013/11/08
Re: [gmx-users] Question about make_ndx and g_angle
Chang Woon Jang
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2013/11/08
Re: [gmx-users] Looking for advice on Monte Carlo simulations, please
Andrew S. Paluch
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2013/11/08
[gmx-users] Looking for advice on Monte Carlo simulations, please
Andrew DeYoung
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2013/11/08
Re: [gmx-users] mpi segmentation error in continuation of REMD simulation with gromacs 4.5.5
Mark Abraham
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2013/11/08
Re: [gmx-users] Reg error in Compilation Of Gromacs 4.6.2
Justin Lemkul
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2013/11/08
Re: [gmx-users] Re: CHARMM .mdp settings for GPU
Justin Lemkul
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2013/11/08
Re: [gmx-users] mpi segmentation error in continuation of REMD simulation with gromacs 4.5.5
Qin Qiao
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2013/11/08
[gmx-users] Reg error in Compilation Of Gromacs 4.6.2
vidhya sankar
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2013/11/08
Re: [gmx-users] Problem compiling Gromacs 4.6.3 with CUDA
Jones de Andrade
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2013/11/08
Re: [gmx-users] Problem compiling Gromacs 4.6.3 with CUDA
Mark Abraham
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2013/11/08
Re: [gmx-users] mpi segmentation error in continuation of REMD simulation with gromacs 4.5.5
Mark Abraham
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2013/11/08
Re: [gmx-users] TFE-water simulation
João Henriques
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2013/11/08
Re: [gmx-users] TFE-water simulation
Archana Sonawani-Jagtap
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2013/11/08
Re: [gmx-users] after using ACPYPE , GROMACS OPLS itp file generated an atom type like opls_x with mass 0.000
Alan
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2013/11/08
Re: [gmx-users] Question about make_ndx and g_angle
Riccardo Concu
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2013/11/07
[gmx-users] Ligand simulation
Kavyashree M
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2013/11/07
[gmx-users] mpi segmentation error in continuation of REMD simulation with gromacs 4.5.5
Qin Qiao
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2013/11/07
[gmx-users] after using ACPYPE , GROMACS OPLS itp file generated an atom type like opls_x with mass 0.000
aditya sarma
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2013/11/07
[gmx-users] Re: CHARMM .mdp settings for GPU
Rajat Desikan
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2013/11/07
Re: [gmx-users] Problem compiling Gromacs 4.6.3 with CUDA
Jones de Andrade
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2013/11/07
Re: [gmx-users] Re: LIE method with PME
Mark Abraham
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2013/11/07
[gmx-users] Question about make_ndx and g_angle
Chang Woon Jang
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2013/11/07
[gmx-users] Re: LIE method with PME
Williams Ernesto Miranda Delgado
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2013/11/07
Re: [gmx-users] Re: Gromacs-4.6 on two Titans GPUs
Szilárd Páll
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2013/11/07
mdrun on 8-core AMD + GTX TITAN (was: Re: [gmx-users] Re: Gromacs-4.6 on two Titans GPUs)
Szilárd Páll
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2013/11/07
Re: [gmx-users] Problem compiling Gromacs 4.6.3 with CUDA
Mark Abraham
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2013/11/07
Re: [gmx-users] Re: CHARMM .mdp settings for GPU
Gianluca Interlandi
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2013/11/07
Re: [gmx-users] Problem compiling Gromacs 4.6.3 with CUDA
Jones de Andrade
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2013/11/07
Re: [gmx-users] Re: LIE method with PME
Mark Abraham
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2013/11/07
Re: [gmx-users] Re: CHARMM .mdp settings for GPU
Mark Abraham
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2013/11/07
Re: [gmx-users] Re: CHARMM .mdp settings for GPU
rajat desikan
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2013/11/07
[gmx-users] Re: LIE method with PME
Williams Ernesto Miranda Delgado
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2013/11/07
Re: [gmx-users] Re: choosing force field
Justin Lemkul
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2013/11/07
[gmx-users] Re: choosing force field
pratibha
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2013/11/07
Re: [gmx-users] installing gromacs 4.6.1 with openmpi
Mark Abraham
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2013/11/07
Re: [gmx-users] Problem compiling Gromacs 4.6.3 with CUDA
Mark Abraham
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2013/11/07
[gmx-users] installing gromacs 4.6.1 with openmpi
niloofar niknam
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2013/11/07
Re: [gmx-users] Re: CHARMM .mdp settings for GPU
Mark Abraham
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2013/11/07
[gmx-users] Problem compiling Gromacs 4.6.3 with CUDA
ahmed.sajid
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2013/11/07
Re: [gmx-users] DSSP output
Justin Lemkul
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2013/11/07
[gmx-users] DSSP output
Anirban
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2013/11/07
[gmx-users] Re: CHARMM .mdp settings for GPU
Rajat Desikan
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2013/11/07
Re: [gmx-users] Error in Umbrella sampling command
Justin Lemkul
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2013/11/07
[gmx-users] Error in Umbrella sampling command
Arunima Shilpi
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2013/11/07
Re: [gmx-users] Re: single point calculation with gromacs
Mark Abraham
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2013/11/07
Re: [gmx-users] nose-hoover vs v-rescale in implicit solvent
Mark Abraham
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2013/11/07
Re: [gmx-users] Re: Gromacs-4.6 on two Titans GPUs
Mark Abraham
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2013/11/06
[gmx-users] nose-hoover vs v-rescale in implicit solvent
Gianluca Interlandi
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2013/11/06
Re: [gmx-users] Re: Gromacs-4.6 on two Titans GPUs
James Starlight
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2013/11/06
[gmx-users] Re: single point calculation with gromacs
fantasticqhl
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2013/11/06
Re: [gmx-users] stopped simulation
Justin Lemkul
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2013/11/06
Re: [gmx-users] stopped simulation
Mark Abraham
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2013/11/06
Re: [gmx-users] Analysis tools and triclinic boxes
Mark Abraham
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2013/11/06
[gmx-users] About g_potential
Guangwei Jiang
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2013/11/06
Re: [gmx-users] Number of water molecules around any methyl carbon
Mark Abraham
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2013/11/06
Re: [gmx-users] stopped simulation
Justin Lemkul
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2013/11/06
Re: [gmx-users] stopped simulation
Ehsan Sadeghi
-
2013/11/06
Re: [gmx-users] stopped simulation
Justin Lemkul
-
2013/11/06
Re: [gmx-users] stopped simulation
Ehsan Sadeghi
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2013/11/06
Re: [gmx-users] Group protein not found in indexfile
Justin Lemkul
-
2013/11/06
Re: [gmx-users] stopped simulation
Justin Lemkul
-
2013/11/06
Re: [gmx-users] Number of water molecules around any methyl carbon
Justin Lemkul
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2013/11/06
[gmx-users] Group protein not found in indexfile
Steve Seibold
-
2013/11/06
[gmx-users] stopped simulation
Ehsan Sadeghi
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2013/11/06
[gmx-users] Enterobactin binding to Iron(III)
Jonathan Saboury
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2013/11/06
[gmx-users] Number of water molecules around any methyl carbon
rankinb
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2013/11/06
Re: [gmx-users] g_lie and ligand only simulation
Kavyashree M
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2013/11/06
Re: [gmx-users] g_lie and ligand only simulation
Justin Lemkul