gmx-users
Thread
Date
Earlier messages
Later messages
Messages by Date
2013/09/16
Re: [gmx-users] Difficulties with MPI in gromacs 4.6.3
Mark Abraham
2013/09/16
Re: [gmx-users] How to restart the crashed run
Mark Abraham
2013/09/16
[gmx-users] Difficulties with MPI in gromacs 4.6.3
Kate Stafford
2013/09/16
[gmx-users] How to restart the crashed run
Mahboobeh Eslami
2013/09/16
Re: [gmx-users] Regarding g_sgangle index file
Venkat Reddy
2013/09/16
Re: [gmx-users] Re: Seeking solution for the error "Atom OXT in residue TRP 323 was not found in rtp entry TRP with 24 atoms while sorting atoms".
Tsjerk Wassenaar
2013/09/16
[gmx-users] Re: Seeking solution for the error "Atom OXT in residue TRP 323 was not found in rtp entry TRP with 24 atoms while sorting atoms".
Santhosh Kumar Nagarajan
2013/09/16
Re: [gmx-users] Cross compiling GROMACS 4.6.3 for native Xeon Phi, thread-mpi problem
Szilárd Páll
2013/09/16
Re: [gmx-users] Regarding g_sgangle index file
Teemu Murtola
2013/09/16
Re: [gmx-users] TPI Results differ in v4.5.7 and v4.6.1
João M . Damas
2013/09/16
[gmx-users] Help g_energy
Marcelo Vanean
2013/09/16
[gmx-users] Cross compiling GROMACS 4.6.3 for native Xeon Phi, thread-mpi problem
PaulC
2013/09/16
[gmx-users] Re: grompp for minimization: note & warning
shahab shariati
2013/09/16
Re: [gmx-users] Re: grompp for minimization: note & warning
Justin Lemkul
2013/09/16
[gmx-users] Re: grompp for minimization: note & warning
shahab shariati
2013/09/16
[gmx-users] Re: grompp for minimization: note & warning
Justin Lemkul
2013/09/16
Re: [gmx-users] grompp for minimization: note & warning
Justin Lemkul
2013/09/16
Re: [gmx-users] grompp for minimization: note & warning
Justin Lemkul
2013/09/16
[gmx-users] Standard errors
afsaneh maleki
2013/09/16
[gmx-users] grompp for minimization: note & warning
shahab shariati
2013/09/16
Re: [gmx-users] question about installation parameters
Carsten Kutzner
2013/09/16
[gmx-users] question about installation parameters
mjyang
2013/09/16
[gmx-users] grompp for minimization: note & warning
shahab shariati
2013/09/15
Re: Fwd: [gmx-users] SD integrator
Dr. Vitaly Chaban
2013/09/15
Re: Fwd: [gmx-users] SD integrator
HANNIBAL LECTER
2013/09/15
Re: [gmx-users] Installation of gromacs 4.5.4 on windows using cygwin
Szilárd Páll
2013/09/15
Re: [gmx-users] segfault on Gromacs 4.6.3 (cuda)
Szilárd Páll
2013/09/15
[gmx-users] Installation of gromacs 4.5.4 on windows using cygwin
Muthukumaran R
2013/09/15
Re: [gmx-users] Number Density
Dr. Vitaly Chaban
2013/09/15
[gmx-users] Number Density
Sun Moon
2013/09/15
[gmx-users] Regarding g_sgangle index file
Venkat Reddy
2013/09/15
Re: [gmx-users] identical results or exactly the same results?
Justin Lemkul
2013/09/15
Re: [gmx-users] grompp for minimization: note & warning
Justin Lemkul
2013/09/15
Re: [gmx-users] grompp for minimization: note & warning
Justin Lemkul
2013/09/15
[gmx-users] grompp for minimization: note & warning
shahab shariati
2013/09/15
Re: [gmx-users] identical results or exactly the same results?
Dr. Vitaly Chaban
2013/09/15
[gmx-users] identical results or exactly the same results?
Albert
2013/09/15
[gmx-users] grompp for minimization: note & warning
shahab shariati
2013/09/15
[gmx-users] grompp for minimization: note & warning
shahab shariati
2013/09/14
Re: [gmx-users] (no subject)
Justin Lemkul
2013/09/14
[gmx-users] (no subject)
mabbasi
2013/09/14
Re: [gmx-users] Distance calculation
Dr. Vitaly Chaban
2013/09/13
Re: [gmx-users] how to make a index file
Justin Lemkul
2013/09/13
Re: [gmx-users] Distance calculation
Justin Lemkul
2013/09/13
[gmx-users] Distance calculation
Rama
2013/09/13
Re: Fwd: [gmx-users] SD integrator
Dr. Vitaly Chaban
2013/09/13
[gmx-users] MD simulations of Tyrosinase using GROMACS
naresh_sssihl
2013/09/13
Re: [gmx-users] Re: Gromacs: GPU detection
Szilárd Páll
2013/09/13
Fwd: [gmx-users] SD integrator
Dr. Vitaly Chaban
2013/09/13
[gmx-users] SD integrator
HANNIBAL LECTER
2013/09/13
[gmx-users] Re:gmx-users Digest, Vol 113, Issue 54
aixintiankong
2013/09/12
Re: [gmx-users] umbrella sampling using pull codes
Justin Lemkul
2013/09/12
RE: [gmx-users] umbrella sampling using pull codes
mjyang
2013/09/12
Re: [gmx-users] umbrella sampling using pull codes
Justin Lemkul
2013/09/12
Re: [gmx-users] changing atom types versus adding dihedrals to atom types
Justin Lemkul
2013/09/12
Re: [gmx-users] RE: average pressure of a system
Justin Lemkul
2013/09/12
RE: [gmx-users] umbrella sampling using pull codes
mjyang
2013/09/12
Re: [gmx-users] changing atom types versus adding dihedrals to atom types
Rafael I. Silverman y de la Vega
2013/09/12
[gmx-users] RE: average pressure of a system
Dwey Kauffman
2013/09/12
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/12
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/12
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/12
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/12
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/12
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/12
Re: [gmx-users] umbrella sampling using pull codes
Justin Lemkul
2013/09/12
[gmx-users] umbrella sampling using pull codes
mjyang
2013/09/12
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/12
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/12
Re: [gmx-users] how to make a index file
Justin Lemkul
2013/09/12
[gmx-users] Re: Umbrella sampling simulations using make_edi with -restrain and -harmonic
Poker Chen
2013/09/12
[gmx-users] PhD vacancy on MD modelling at University of Groningen
Patrick Onck
2013/09/11
Re: [gmx-users] RE: average pressure of a system
Tsjerk Wassenaar
2013/09/11
RE: [gmx-users] RE: average pressure of a system
Dallas Warren
2013/09/11
[gmx-users] how to make a index file
aixintiankong
2013/09/11
[gmx-users] RE: average pressure of a system
Dwey Kauffman
2013/09/11
Re: [gmx-users] changing atom types versus adding dihedrals to atom types
Justin Lemkul
2013/09/11
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/11
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/11
[gmx-users] changing atom types versus adding dihedrals to atom types
Rafael I. Silverman y de la Vega
2013/09/11
Re: [gmx-users] segfault on Gromacs 4.6.3 (cuda)
Mark Abraham
2013/09/11
Re: [gmx-users] segfault on Gromacs 4.6.3 (cuda)
Guanglei Cui
2013/09/11
Re: [gmx-users] Many failed tests in gromacs 4.6.3 installation
Mark Abraham
2013/09/11
[gmx-users] xtcio problem
Oliver Schillinger
2013/09/11
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/11
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/11
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/11
Re: [gmx-users] Many failed tests in gromacs 4.6.3 installation
Herbert Georg
2013/09/11
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/11
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/11
Re: [gmx-users] Gromacs on Intel Xeon and AMD Opteron
Mark Abraham
2013/09/11
RE: [gmx-users] Gromacs on Intel Xeon and AMD Opteron
Xu, Jianqing
2013/09/11
Re: [gmx-users] Quick question about pressure coupling
HANNIBAL LECTER
2013/09/11
Re: [gmx-users] Quick question about pressure coupling
Justin Lemkul
2013/09/11
Re: [gmx-users] Quick question about pressure coupling
HANNIBAL LECTER
2013/09/11
Re: [gmx-users] Quick question about pressure coupling
Justin Lemkul
2013/09/11
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/11
Re: [gmx-users] Gromacs on Intel Xeon and AMD Opteron
Mark Abraham
2013/09/11
Re: [gmx-users] Quick question about pressure coupling
HANNIBAL LECTER
2013/09/11
RE: [gmx-users] Gromacs on Intel Xeon and AMD Opteron
Xu, Jianqing
2013/09/11
Re: [gmx-users] Quick question about pressure coupling
Justin Lemkul
2013/09/11
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/11
[gmx-users] Quick question about pressure coupling
HANNIBAL LECTER
2013/09/11
Re: [gmx-users] Many failed tests in gromacs 4.6.3 installation
Mark Abraham
2013/09/11
Re: [gmx-users] Error in Installing gromacs4.6.3 with mpi
Qin Qiao
2013/09/11
Re: [gmx-users] Re: MD vs. free energy simulations
Justin Lemkul
2013/09/11
[gmx-users] Many failed tests in gromacs 4.6.3 installation
Herbert Georg
2013/09/11
Re: [gmx-users] RE: average pressure of a system
Justin Lemkul
2013/09/11
Re: [gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
Mark Abraham
2013/09/11
Re: [gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
Mirco Wahab
2013/09/11
Re: [gmx-users] Gromacs on Intel Xeon and AMD Opteron
Mark Abraham
2013/09/11
Re: [gmx-users] Re: MD vs. free energy simulations
Mark Abraham
2013/09/11
Re: [gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
Mark Abraham
2013/09/11
[gmx-users] Re: MD vs. free energy simulations
Jernej Zidar
2013/09/11
[gmx-users] Gromacs on Intel Xeon and AMD Opteron
Xu, Jianqing
2013/09/11
Re: [gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
shahid nayeem
2013/09/11
Re: [gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
shahid nayeem
2013/09/11
Re: [gmx-users] segfault on Gromacs 4.6.3 (cuda)
Mark Abraham
2013/09/11
Re: [gmx-users] reg GPU Mdrun Error
Mark Abraham
2013/09/11
Re: [gmx-users] Freeze + NPT + constraints
Mark Abraham
2013/09/11
Re: [gmx-users] ERROR while compiling gromacs4.6.1
Mark Abraham
2013/09/11
Re: [gmx-users] Error in Installing gromacs4.6.3 with mpi
Mark Abraham
2013/09/11
Re: [gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
Mark Abraham
2013/09/10
Re: [gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
shahid nayeem
2013/09/10
[gmx-users] Error in Installing gromacs4.6.3 with mpi
Qin Qiao
2013/09/10
[gmx-users] RE: average pressure of a system
Dwey Kauffman
2013/09/10
RE: [gmx-users] RE: average pressure of a system
Dallas Warren
2013/09/10
Re: [gmx-users] RE: average pressure of a system
Justin Lemkul
2013/09/10
[gmx-users] ERROR while compiling gromacs4.6.1
Golshan Hejazi
2013/09/10
[gmx-users] RE: average pressure of a system
Dwey Kauffman
2013/09/10
RE: [gmx-users] average pressure of a system
Dallas Warren
2013/09/10
Re: [gmx-users] average pressure of a system
Justin Lemkul
2013/09/10
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/10
[gmx-users] average pressure of a system
Dwey
2013/09/10
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/10
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/10
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/10
Re: [gmx-users] Freeze + NPT + constraints
Justin Lemkul
2013/09/10
Re: [gmx-users] Freeze + NPT + constraints
HANNIBAL LECTER
2013/09/10
[gmx-users] Re: plans for mdrun features to deprecate in GROMACS 5.0
Mark Abraham
2013/09/10
Re: [gmx-users] Freeze + NPT + constraints
Justin Lemkul
2013/09/10
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/10
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/10
Re: [gmx-users] NMR restrained MD
Rafael I. Silverman y de la Vega
2013/09/10
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/10
[gmx-users] Freeze + NPT + constraints
HANNIBAL LECTER
2013/09/10
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/10
Re: [gmx-users] NMR restrained MD
Rafael I. Silverman y de la Vega
2013/09/10
Re: [gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
Mirco Wahab
2013/09/10
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/10
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/10
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/10
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/10
Re: Fwd: [gmx-users] xpm2ps
Justin Lemkul
2013/09/10
Re: [gmx-users] Adding ligand structure information obtained from ATB into the pdb2gmx gro file (obtained using GROMACS)
MUSYOKA THOMMAS
2013/09/10
Re: [gmx-users] xpm2ps
Justin Lemkul
2013/09/10
Re: [gmx-users] Adding ligand structure information obtained from ATB into the pdb2gmx gro file (obtained using GROMACS)
Mark Abraham
2013/09/10
[gmx-users] xpm2ps
Neha Gandhi
2013/09/10
[gmx-users] Adding ligand structure information obtained from ATB into the pdb2gmx gro file (obtained using GROMACS)
MUSYOKA THOMMAS
2013/09/10
Re: [gmx-users] Umbrella sampling simulations using make_edi with -restrain and -harmonic
Carsten Kutzner
2013/09/10
[gmx-users] Umbrella sampling simulations using make_edi with -restrain and -harmonic
Chen, Po-chia
2013/09/09
[gmx-users] Fwd: installing Gromacs4.6.3 on cygwin
shahid nayeem
2013/09/09
Re: [gmx-users] segfault on Gromacs 4.6.3 (cuda)
Guanglei Cui
2013/09/09
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/09
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/09
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/09
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/09
Re: [gmx-users] segfault on Gromacs 4.6.3 (cuda)
Szilárd Páll
2013/09/09
[gmx-users] segfault on Gromacs 4.6.3 (cuda)
Guanglei Cui
2013/09/09
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/09
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/09
Re: [gmx-users] intermittent changes in energy drift following simulation restarts in v4.6.1
Mark Abraham
2013/09/09
RE: [gmx-users] g_current
Florian Dommert
2013/09/09
Re: [gmx-users] intermittent changes in energy drift following simulation restarts in v4.6.1
Richard Broadbent
2013/09/09
Re: [gmx-users] intermittent changes in energy drift following simulation restarts in v4.6.1
Mark Abraham
2013/09/09
[gmx-users] intermittent changes in energy drift following simulation restarts in v4.6.1
Richard Broadbent
2013/09/09
Re: [gmx-users] GaussView 4.0 and ITP adjuster
Dr. Vitaly Chaban
2013/09/09
Re: [gmx-users] GaussView 4.0 and ITP adjuster
MUSYOKA THOMMAS
2013/09/09
Re: [gmx-users] GaussView 4.0 and ITP adjuster
Dr. Vitaly Chaban
2013/09/09
Re: [gmx-users] Ligand Topologies
Mark Abraham
2013/09/09
[gmx-users] Ligand Topologies
MUSYOKA THOMMAS
2013/09/08
RE: [gmx-users] g_current
Nilesh Dhumal
2013/09/08
[gmx-users] g_polystat: eigenvectors of the gyration tensor
gtesei
2013/09/08
Re: [gmx-users] NMR restrained MD
Mark Abraham
2013/09/08
[gmx-users] GaussView 4.0 and ITP adjuster
MUSYOKA THOMMAS
2013/09/08
[gmx-users] installing Gromacs4.6.3 on cygwin
shahid nayeem
2013/09/07
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/07
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/07
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/07
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/07
[gmx-users] reg GPU Mdrun Error
vidhya sankar
2013/09/07
[gmx-users] Re: Install gromacs4.6.3 with mpi
Qin Qiao
2013/09/07
[gmx-users] Install gromacs4.6.3 with mpi
Qin Qiao
2013/09/06
Re: [gmx-users] simulation explode while switching from NVT to NPT
Justin Lemkul
2013/09/06
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/06
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/06
Re: [gmx-users] NMR restrained MD
Justin Lemkul
2013/09/06
Re: [gmx-users] NMR restrained MD
Rama Krishna Koppisetti
2013/09/06
Re: [gmx-users] Atom ordering for RB dihedrals in OPLS-AA
Justin Lemkul
2013/09/06
[gmx-users] NMR restrained MD
Rama
Earlier messages
Later messages