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• 2013/08/07 Re: [gmx-users] Bond energy doesn't appear in gromacs rerun Justin Lemkul
• 2013/08/07 [gmx-users] Restrain lipid in a bilayer Li, Hualin
• 2013/08/07 Re: [gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P Bogdan Costescu
• 2013/08/07 Re: [gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P Prentice Bisbal
• 2013/08/07 Re: [gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P Prentice Bisbal
• 2013/08/07 [gmx-users] Re: restraint-lambdas for position restraints in hamiltonian exchange Dejun Lin
• 2013/08/07 Re: [gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P Bogdan Costescu
• 2013/08/07 RE: [gmx-users] set charge as 0 in gromacs code Mark Abraham
• 2013/08/06 Re: [gmx-users] Hamiltonian replica exchange not working in 4.6 Michael Shirts
• 2013/08/06 RE: [gmx-users] set charge as 0 in gromacs code Shi, Yu (shiy4)
• 2013/08/06 Re: [gmx-users] set charge as 0 in gromacs code Mark Abraham
• 2013/08/06 Re: [gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P Mark Abraham
• 2013/08/06 [gmx-users] set charge as 0 in gromacs code Shi, Yu (shiy4)
• 2013/08/06 [gmx-users] Hamiltonian replica exchange not working in 4.6 Sanku M
• 2013/08/06 Re: [gmx-users] g_angle bin centers Justin Lemkul
• 2013/08/06 [gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P Prentice Bisbal
• 2013/08/06 [gmx-users] g_angle bin centers Brandon Wiebe
• 2013/08/06 Re: [gmx-users] Re: starting temperature equilibration phase Justin Lemkul
• 2013/08/06 [gmx-users] Re: starting temperature equilibration phase ypca
• 2013/08/06 Re: [gmx-users] starting temperature equilibration phase Justin Lemkul
• 2013/08/06 [gmx-users] starting temperature equilibration phase ypca
• 2013/08/06 [gmx-users] Re: Gromacs 4.6.3 installation Issue with Intel & CUDA Brad Van Oosten
• 2013/08/06 [gmx-users] Free Energy Ion Pair Decoupling Quintin Sheridan
• 2013/08/06 Re: [gmx-users] The sum of the two largest charge group radii ..is larger than rlist Kavyashree M
• 2013/08/06 Re: [gmx-users] The sum of the two largest charge group radii ..is larger than rlist Justin Lemkul
• 2013/08/05 [gmx-users] The sum of the two largest charge group radii ..is larger than rlist Kavyashree M
• 2013/08/05 Re: [gmx-users] Unphysical conformations in decoupled free energy simulation Michael Shirts
• 2013/08/05 Re: [gmx-users] Unphysical conformations in decoupled free energy simulation Justin Lemkul
• 2013/08/05 [gmx-users] Adding charges to a protein to observe interaction chinnu657
• 2013/08/05 Re: [gmx-users] Adding charges to a protein to observe interaction Justin Lemkul
• 2013/08/05 Re: [gmx-users] Unphysical conformations in decoupled free energy simulation Joerg Sauter
• 2013/08/05 [gmx-users] analysis tool of 407 to 46x Chandan Choudhury
• 2013/08/05 Re: [gmx-users] g_wham error analysis hangs Justin Lemkul
• 2013/08/05 Re: [gmx-users] g_wham error analysis hangs Magnus Andersson
• 2013/08/05 Re: [gmx-users] Unphysical conformations in decoupled free energy simulation Justin Lemkul
• 2013/08/05 Re: [gmx-users] Unphysical conformations in decoupled free energy simulation Joerg Sauter
• 2013/08/05 Re: [gmx-users] g_wham error analysis hangs Justin Lemkul
• 2013/08/05 Re: [gmx-users] g_wham error analysis hangs Magnus Andersson
• 2013/08/05 Re: [gmx-users] Unphysical conformations in decoupled free energy simulation Justin Lemkul
• 2013/08/05 Re: [gmx-users] REMD run on higher nodes. Justin Lemkul
• 2013/08/05 Re: [gmx-users] Re: topology and coordinate file not matching after grompp Justin Lemkul
• 2013/08/05 Re: [gmx-users] g_wham error analysis hangs Justin Lemkul
• 2013/08/05 Re: [gmx-users] Re: energy conservation / frozen atoms Justin Lemkul
• 2013/08/05 [gmx-users] Unphysical conformations in decoupled free energy simulation Joerg Sauter
• 2013/08/05 Re: [gmx-users] REMD run on higher nodes. suhani nagpal
• 2013/08/05 Re: [gmx-users] REMD run on higher nodes. Mark Abraham
• 2013/08/05 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/08/05 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/08/04 [gmx-users] g_wham error analysis hangs Magnus Andersson
• 2013/08/04 [gmx-users] REMD run on higher nodes. suhani nagpal
• 2013/08/04 [gmx-users] Re: Mean Square Displacement: gromacs 4.5 Vs gromacs 4.6.1 Guillaume Chevrot
• 2013/08/04 [gmx-users] Re: energy conservation / frozen atoms S. Alireza Bagherzadeh
• 2013/08/04 Re: [gmx-users] Invalid order for directive atomtypes Tsjerk Wassenaar
• 2013/08/03 [gmx-users] Invalid order for directive atomtypes Jonathan Saboury
• 2013/08/03 [gmx-users] mixing of PCs for generating reduced free energy profile using g_sham R.S.K.Vijayan
• 2013/08/03 Re: [gmx-users] Re: restraint-lambdas for position restraints in hamiltonian exchange Michael Shirts
• 2013/08/03 [gmx-users] Re: restraint-lambdas for position restraints in hamiltonian exchange Dejun Lin
• 2013/08/03 Re: [gmx-users] restraint-lambdas for position restraints in hamiltonian exchange Michael Shirts
• 2013/08/03 [gmx-users] Gromacs 4.6.3 installation Issue with Intel & CUDA Jim Strong
• 2013/08/02 [gmx-users] restraint-lambdas for position restraints in hamiltonian exchange Dejun Lin
• 2013/08/02 Re: [gmx-users] Re: energy conservation / frozen atoms Justin Lemkul
• 2013/08/02 Re: [gmx-users] Mean Square Displacement: gromacs 4.5 Vs gromacs 4.6.1 rajat desikan
• 2013/08/02 [gmx-users] Re: energy conservation / frozen atoms S. Alireza Bagherzadeh
• 2013/08/02 Re: [gmx-users] Mean Square Displacement: gromacs 4.5 Vs gromacs 4.6.1 Mark Abraham
• 2013/08/02 [gmx-users] Mean Square Displacement: gromacs 4.5 Vs gromacs 4.6.1 Guillaume Chevrot
• 2013/08/02 Re: [gmx-users] concatenating 2 xtc files Kavyashree M
• 2013/08/02 Re: [gmx-users] g_potential and trjconv: problems with bilayer simulation analysis Justin Lemkul
• 2013/08/02 Re: [gmx-users] g_potential and trjconv: problems with bilayer simulation analysis wood irene
• 2013/08/02 Re: [gmx-users] Using Charmm 36 forcefield on Gromacs 4.6 or higher Mark Abraham
• 2013/08/02 [gmx-users] Re: COM of a molecule Brad Van Oosten
• 2013/08/02 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/08/02 Re: [gmx-users] Regarding g_order Justin Lemkul
• 2013/08/02 Re: [gmx-users] Re: topology and coordinate file not matching after grompp Justin Lemkul
• 2013/08/02 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/08/02 Re: [gmx-users] Trying to explain differences in behaviour between 2fs and 5fs timesteps Mark Abraham
• 2013/08/02 Re: [gmx-users] remd Mark Abraham
• 2013/08/02 Re: [gmx-users] Potential Energy Scan Mark Abraham
• 2013/08/02 [gmx-users] Gromacs: GPU detection Jernej Zidar
• 2013/08/01 [gmx-users] remd Shine A
• 2013/08/01 Re: [gmx-users] Regarding g_order Venkat Reddy
• 2013/08/01 Re: [gmx-users] Potential Energy Scan tarak karmakar
• 2013/08/01 [gmx-users] Trying to explain differences in behaviour between 2fs and 5fs timesteps Trayder
• 2013/08/01 [gmx-users] COM of a molecule Sikandar Mashayak
• 2013/08/01 Re: [gmx-users] g_potential and trjconv: problems with bilayer simulation analysis Justin Lemkul
• 2013/08/01 [gmx-users] g_potential and trjconv: problems with bilayer simulation analysis wood irene
• 2013/08/01 Re: [gmx-users] Re: inconsistent energy drops Justin Lemkul
• 2013/08/01 [gmx-users] Re: inconsistent energy drops Brad Van Oosten
• 2013/08/01 Re: [gmx-users] Re: inconsistent energy drops Justin Lemkul
• 2013/08/01 [gmx-users] Re: inconsistent energy drops Brad Van Oosten
• 2013/08/01 Re: [gmx-users] Re: inconsistent energy drops Justin Lemkul
• 2013/08/01 Re: [gmx-users] 1. Re: Interaction energy between specific residue in a set of residues (Justin Lemkul) Justin Lemkul
• 2013/08/01 [gmx-users] Re: inconsistent energy drops Brad Van Oosten
• 2013/08/01 [gmx-users] 1. Re: Interaction energy between specific residue in a set of residues (Justin Lemkul) Collins Nganou
• 2013/08/01 Re: [gmx-users] Using Charmm 36 forcefield on Gromacs 4.6 or higher Justin Lemkul
• 2013/08/01 Re: [gmx-users] Using Charmm 36 forcefield on Gromacs 4.6 or higher francesco oteri
• 2013/08/01 [gmx-users] Using Charmm 36 forcefield on Gromacs 4.6 or higher akk5r
• 2013/08/01 Re: Re: Re: [gmx-users] GPU-based workstation Szilárd Páll
• 2013/08/01 Re: [gmx-users] Regarding g_order Justin Lemkul
• 2013/08/01 Re: [gmx-users] Intel vs gcc compilers Szilárd Páll
• 2013/08/01 Re: [gmx-users] concatenating 2 xtc files Justin Lemkul
• 2013/08/01 Re: [gmx-users] Box dimension size errors in MARTINI soft core simulation Justin Lemkul
• 2013/08/01 Re: [gmx-users] Re: CUDA with QUADRO GPUs Szilárd Páll
• 2013/08/01 [gmx-users] Regarding g_order Venkat Reddy
• 2013/08/01 Re: [gmx-users] concatenating 2 xtc files Kavyashree M
• 2013/08/01 Re: [gmx-users] Box dimension size errors in MARTINI soft core simulation Scott Pendley
• 2013/08/01 Re: [gmx-users] fatal error with charmm/amber forcefield Mark Abraham
• 2013/08/01 Re: [gmx-users] concatenating 2 xtc files Justin Lemkul
• 2013/08/01 Re: [gmx-users] Potential Energy Scan Mark Abraham
• 2013/08/01 Re: [gmx-users] Re: Conserved energy ("Conserved En.") in NVT simulation Mark Abraham
• 2013/08/01 [gmx-users] Re: Energies in MM scanning using gmx fantasticqhl
• 2013/08/01 [gmx-users] QM/MM with gromacs 4.5.5-gaussian03 azeif
• 2013/08/01 [gmx-users] Re: fftw Andrish Reddy
• 2013/08/01 Re: [gmx-users] concatenating 2 xtc files Kavyashree M
• 2013/08/01 [gmx-users] Energies in MM scanning using gmx fantasticqhl
• 2013/07/31 Re: [gmx-users] concatenating 2 xtc files Tsjerk Wassenaar
• 2013/07/31 [gmx-users] concatenating 2 xtc files Kavyashree M
• 2013/07/31 [gmx-users] Potential Energy Scan tarak karmakar
• 2013/07/31 Re: [gmx-users] Re: inconsistent energy drops Justin Lemkul
• 2013/07/31 [gmx-users] fatal error with charmm/amber forcefield Sanku M
• 2013/07/31 Re: [gmx-users] Expanded ensemble simulation died with fatal error: Something wrong in choosing new lambda state with a Gibbs move Michael Shirts
• 2013/07/31 [gmx-users] Re: inconsistent energy drops Brad Van Oosten
• 2013/07/31 Re: [gmx-users] Interaction energy between specific residue in a set of residues Justin Lemkul
• 2013/07/31 [gmx-users] Re: Interaction energy between specific residue in a set of residues Collins Nganou
• 2013/07/31 [gmx-users] Interaction energy between specific residue in a set of residues Collins Nganou
• 2013/07/31 Re: [gmx-users] inconsistent energy drops Justin Lemkul
• 2013/07/31 Re: [gmx-users] Re: topology and coordinate file not matching after grompp Justin Lemkul
• 2013/07/31 [gmx-users] Re: Conserved energy ("Conserved En.") in NVT simulation Janne Hirvi
• 2013/07/31 [gmx-users] inconsistent energy drops Brad Van Oosten
• 2013/07/31 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/07/31 Re: [gmx-users] Conserved energy ("Conserved En.") in NVT simulation Mark Abraham
• 2013/07/31 Re: [gmx-users] Membrane Curvature calaculation Justin Lemkul
• 2013/07/31 Re: [gmx-users] Re: topology and coordinate file not matching after grompp Justin Lemkul
• 2013/07/31 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/07/31 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/07/31 [gmx-users] Expanded ensemble simulation died with fatal error: Something wrong in choosing new lambda state with a Gibbs move Dejun Lin
• 2013/07/31 [gmx-users] Conserved energy ("Conserved En.") in NVT simulation Janne Hirvi
• 2013/07/31 [gmx-users] Membrane Curvature calaculation Nikhil Agrawal
• 2013/07/31 Re: [gmx-users] RDF of water Justin Lemkul
• 2013/07/31 Re: [gmx-users] RDF of water George Patargias
• 2013/07/31 Re: [gmx-users] Re: topology and coordinate file not matching after grompp Justin Lemkul
• 2013/07/31 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/07/31 Aw: Re: [gmx-users] Umbrella Sampling lloyd riggs
• 2013/07/31 Re: [gmx-users] Re: topology and coordinate file not matching after grompp Justin Lemkul
• 2013/07/31 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/07/31 Re: [gmx-users] RDF of water Justin Lemkul
• 2013/07/31 Re: Fwd: [gmx-users] umbrella Sampling and PMF- Error estimation Justin Lemkul
• 2013/07/31 Re: [gmx-users] Re: topology and coordinate file not matching after grompp Justin Lemkul
• 2013/07/31 Re: [gmx-users] Problems with REMD in Gromacs 4.6.3 Szilárd Páll
• 2013/07/31 [gmx-users] RDF of water George Patargias
• 2013/07/31 Re: [gmx-users] GROMACS 4.6.3 Static Linking Szilárd Páll
• 2013/07/31 Fwd: [gmx-users] umbrella Sampling and PMF- Error estimation Mohsen Ramezanpour
• 2013/07/31 [gmx-users] Re: topology and coordinate file not matching after grompp chinnu657
• 2013/07/31 [gmx-users] Re: generating user-defined topologies for surfaces Valentina
• 2013/07/31 Re: [gmx-users] Re: generating user-defined topologies for surfaces Justin Lemkul
• 2013/07/31 [gmx-users] Re: generating user-defined topologies for surfaces Valentina
• 2013/07/31 Re: [gmx-users] Umbrella Sampling Steven Neumann
• 2013/07/31 Re: [gmx-users] Umbrella Sampling Steven Neumann
• 2013/07/31 Re: [gmx-users] Umbrella Sampling Justin Lemkul
• 2013/07/31 Re: [gmx-users] umbrella Sampling and PMF- Error estimation Mohsen Ramezanpour
• 2013/07/31 Re: [gmx-users] umbrella Sampling and PMF- Error estimation Justin Lemkul
• 2013/07/31 Re: [gmx-users] topology and coordinate file not matching after grompp Justin Lemkul
• 2013/07/31 Re: [gmx-users] vdwtype in mdp file for LIE method Justin Lemkul
• 2013/07/31 [gmx-users] umbrella Sampling and PMF- Error estimation Mohsen Ramezanpour
• 2013/07/31 Re: [gmx-users] Umbrella Sampling Steven Neumann
• 2013/07/31 Re: [gmx-users] Umbrella Sampling Steven Neumann
• 2013/07/31 [gmx-users] topology and coordinate file not matching after grompp chinnu657
• 2013/07/31 Aw: [gmx-users] Umbrella Sampling lloyd riggs
• 2013/07/31 [gmx-users] probabilty density of C5-C6 bond of all DNA conformer Collins Nganou
• 2013/07/31 Re: [gmx-users] Regarding gromos method in g_cluster bipin singh
• 2013/07/31 Re: [gmx-users] Regarding gromos method in g_cluster Tsjerk Wassenaar
• 2013/07/31 Re: [gmx-users] Regarding gromos method in g_cluster David van der Spoel
• 2013/07/31 Re: [gmx-users] vdwtype in mdp file for LIE method Mark Abraham
• 2013/07/31 Re: [gmx-users] Regarding gromos method in g_cluster bipin singh
• 2013/07/31 Re: [gmx-users] Regarding gromos method in g_cluster David van der Spoel
• 2013/07/31 [gmx-users] Umbrella Sampling Steven Neumann
• 2013/07/31 [gmx-users] vdwtype in mdp file for LIE method Mahboobeh Eslami
• 2013/07/30 [gmx-users] Regarding gromos method in g_cluster bipin singh
• 2013/07/30 Re: [gmx-users] Re: Replica exchange log file inconsistent with mdrun -replex Mark Abraham
• 2013/07/30 [gmx-users] Re: Replica exchange log file inconsistent with mdrun -replex Dejun Lin
• 2013/07/30 Re: [gmx-users] Re: energy conservation / frozen atoms Justin Lemkul
• 2013/07/30 Re: [gmx-users] how to make a rigid entity Justin Lemkul
• 2013/07/30 Re: [gmx-users] Replica exchange log file inconsistent with mdrun -replex Mark Abraham
• 2013/07/30 [gmx-users] Re: energy conservation / frozen atoms S. Alireza Bagherzadeh
• 2013/07/30 [gmx-users] Replica exchange log file inconsistent with mdrun -replex Dejun Lin
• 2013/07/30 [gmx-users] how to make a rigid entity niaz poorgholami
• 2013/07/30 [gmx-users] AdRess generic kernel for non-bonded interactions Sikandar Mashayak
• 2013/07/30 [gmx-users] Re: trouble with -DGMX_BUILD_OWN_FFTW, crashing in m4? -update/partialy solved Jacob Pessin
• 2013/07/30 [gmx-users] Re: generating user-defined topologies for surfaces Valentina
• 2013/07/30 Re: [gmx-users] Box dimension size errors in MARTINI soft core simulation Justin Lemkul
• 2013/07/30 Re: [gmx-users] Box dimension size errors in MARTINI soft core simulation Scott Pendley
• 2013/07/30 Re: [gmx-users] Re: generating user-defined topologies for surfaces Justin Lemkul
• 2013/07/30 [gmx-users] Re: generating user-defined topologies for surfaces Valentina
• 2013/07/30 [gmx-users] Re: generating user-defined topologies for surfaces Valentina
• 2013/07/30 Re: [gmx-users] energy conservation / frozen atoms Justin Lemkul
• 2013/07/30 Re: [gmx-users] generating user-defined topologies for surfaces Justin Lemkul
• 2013/07/30 [gmx-users] generating user-defined topologies for surfaces Valentina
• 2013/07/30 Aw: [gmx-users] constant force pulling lloyd riggs
• 2013/07/30 Aw: [gmx-users] constant force pulling lloyd riggs
• 2013/07/30 [gmx-users] Verlet cut off scheme with tabulated potentials Steven Neumann
• 2013/07/29 [gmx-users] Re: problem in g_membed pavithrakb

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