June 2008 Archives by subject

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Starting: Sun Jun 1 11:17:57 CEST 2008
Ending: Mon Jun 30 22:39:17 CEST 2008
Messages: 553

[gmx-users] (no subject) ANINDITA GAYEN
[gmx-users] (no subject) VENKATESH HARIHARAN
[gmx-users] (no subject) Lee Soin
[gmx-users] 2D projection and corresponding conformation xi zhao
[gmx-users] 2D projection and corresponding conformation Mark Abraham
[gmx-users] 64 bit compiling on OS X David van der Spoel
[gmx-users] Re:: Specified frame doesn't exist or file not seekable Florian Haberl
[gmx-users] Re:: Specified frame doesn't exist or file not seekable Mark Abraham
[gmx-users] Re:: Specified frame doesn't exist or file not seekable sudheer babu
[Bulk] [gmx-users] RMSD graph Yang Ye
[Bulk] [gmx-users] RMSD graph Diego Enry
[gmx-users] [Fwd: Installation Doubt] Mark Abraham
[gmx-users] RE: [Fwd: Installation Doubt] Vitaly Chaban
[gmx-users] [Fwd: low cpu usage] Mark Abraham
[gmx-users] [Fwd: some questions about simulate a liquid-vapor interface of a solution, many thanks] Mark Abraham
[gmx-users] [Fwd: some questions about simulate a liquid-vapor interface of a solution, many thanks] Yang Ye
[gmx-users] [Fwd: some questions about simulate a liquid-vapor interface of a solution, many thanks] Mark Abraham
[gmx-users] AFM Pulling index.ndx & pull.ppa VENKATESH HARIHARAN
[gmx-users] Analyse of velocity autocorrelation function plot by xmgrace Collins Nganou
[gmx-users] analysis of different groups with g_energy Peyman Yamin
[gmx-users] analysis of different groups with g_energy Justin A. Lemkul
[gmx-users] analysis of different groups with g_energy Peyman Yamin
[gmx-users] analysis of different groups with g_energy Mark Abraham
[gmx-users] analysis of different groups with g_energy Peyman Yamin
[gmx-users] analysis of different groups with g_energy Peyman Yamin
[gmx-users] analysis of different groups with g_energy Mark Abraham
[gmx-users] analysis of different groups with g_energy Mark Abraham
[gmx-users] analysis of different groups with g_energy Peyman Yamin
[gmx-users] analysis of different groups with g_energy Mark Abraham
[gmx-users] analysis of different groups with g_energy Peyman Yamin
[gmx-users] anyone knows how to install grace? wang kelvin
[gmx-users] anyone knows how to install grace? Lee Soin
[gmx-users] anyone knows how to install grace? D D
[gmx-users] anyone knows how to install grace? Marc F. Lensink
[gmx-users] RE: anyone knows how to install grace? Vitaly Chaban
[gmx-users] Arguments to g_rdf Andreas Kring
[gmx-users] Arguments to g_rdf Justin Lemkul
[gmx-users] Arguments to g_rdf [SOLVED] Andreas Kring
[gmx-users] basic units: acceleration conflict CIHAN NADIR KAPLAN
[gmx-users] basic units: acceleration conflict (revision) CIHAN NADIR KAPLAN
[gmx-users] basic units: acceleration conflict (revision) David van der Spoel
[gmx-users] basic units: acceleration conflict (revision) CIHAN NADIR KAPLAN
[gmx-users] basic units: acceleration conflict (revision) Tsjerk Wassenaar
[gmx-users] basic units: acceleration conflict (revision) Nizamov Shawkat
[gmx-users] basic units: acceleration conflict (revision) CIHAN NADIR KAPLAN
[gmx-users] berger-oplsaa combination for DPC micelle Low Soo Mei
[gmx-users] berger-oplsaa combination for DPC micelle chris.neale at utoronto.ca
[gmx-users] Re: berger-oplsaa combination for DPC micelle Low Soo Mei
[gmx-users] Re: berger-oplsaa combination for DPC micelle Low Soo Mei
[gmx-users] berger-oplsaa combination for DPC micelle chris.neale at utoronto.ca
[gmx-users] Re: berger-oplsaa combination for DPC micelle Low Soo Mei
[gmx-users] bicelle gromacs MD simulation CG model? ANINDITA GAYEN
[gmx-users] bicelle gromacs MD simulation CG model? Mark Abraham
[gmx-users] bicelle gromacs MD simulation CG model? ANINDITA GAYEN
[gmx-users] bicelle gromacs MD simulation CG model? Justin A. Lemkul
[gmx-users] bicelle gromacs MD simulation CG model? Justin A. Lemkul
[gmx-users] bicelle gromacs MD simulation CG model? Justin A. Lemkul
[gmx-users] bicelle gromacs MD simulation CG model? ANINDITA GAYEN
[gmx-users] bicelle gromacs MD simulation CG model? Justin A. Lemkul
[gmx-users] bicelle gromacs MD simulation CG model? Peyman Yamin
[gmx-users] bicelle modeling ANINDITA GAYEN
[gmx-users] RE:RE: bicelle modeling using CG MODEL ANINDITA GAYEN
[gmx-users] RE:RE: bicelle modeling using CG MODEL Mark Abraham
[gmx-users] Bonds in a pdb file h a
[gmx-users] Bonds in a pdb file David van der Spoel
[gmx-users] Ca2+ forcefield and Temp-coupling tuhin at iitk.ac.in
[gmx-users] Ca2+ forcefield and Temp-coupling Ran Friedman
[gmx-users] Ca2+ forcefield and Temp-coupling Mark Abraham
[gmx-users] Ca2+ forcefield and Temp-coupling tuhin at iitk.ac.in
[gmx-users] Calculating electric field vector at snapshots Aaron Fafarman
[gmx-users] Calculating electric field vector at snapshots David van der Spoel
[gmx-users] calculating ionic strength jayant james
[gmx-users] calculating ionic strength Justin A. Lemkul
[gmx-users] calculating ionic strength Mark Abraham
[gmx-users] calculating ionic strength Miguel Machuqueiro
[gmx-users] calculating ionic strength Tsjerk Wassenaar
[gmx-users] can gmx be used to simulation NaCl Santan William
[gmx-users] RE: can gmx be used to simulation NaCl Vitaly Chaban
[gmx-users] RE: can gmx be used to simulation NaCl Tsjerk Wassenaar
[gmx-users] RE: can gmx be used to simulation NaCl Vitaly Chaban
[gmx-users] RE: can gmx be used to simulation NaCl Tsjerk Wassenaar
[gmx-users] Carbon Nanotube Residue jolander at rci.rutgers.edu
[gmx-users] Carbon Nanotube Residue Justin A. Lemkul
[gmx-users] Carbon Nanotube Residue Mark Abraham
[gmx-users] Carbon Nanotube Residue Vitaly Chaban
[gmx-users] change coloumb interaction Mark Abraham
[gmx-users] change coloumb interaction Sang-Min Park
[gmx-users] change coloumb interaction Mark Abraham
[gmx-users] change coloumb interaction Sang-Min Park
[gmx-users] changing mass in free energy calculation friendli
[gmx-users] changing mass in free energy calculation friendli
[gmx-users] changing particle vdw radius jtomlins at purdue.edu
[gmx-users] charge in genbox Serena Leone
[gmx-users] charge in genbox Justin A. Lemkul
[gmx-users] CHARMM to Gromacs Alessandro.Maiorana at roma2.infn.it
[gmx-users] CHARMM to Gromacs Justin A. Lemkul
[gmx-users] CHARMM to Gromacs Alessandro.Maiorana at roma2.infn.it
[gmx-users] CHARMM to Gromacs Nicolas Sapay
[gmx-users] Charmm_gromacs Velia Minicozzi
[gmx-users] Charmm_gromacs Velia Minicozzi
[gmx-users] cholesterol in OPLS-BERGER ANINDITA GAYEN
[gmx-users] constraints rams rams
[gmx-users] constraints Mark Abraham
[gmx-users] Crashing NPT run, 1.5 ns JMandumpal
[gmx-users] Crashing NPT run, 1.5 ns Mark Abraham
[gmx-users] cumulative velocity correlation Collins Nganou
[gmx-users] cumulative velocity correlation David van der Spoel
[gmx-users] RE[2]: Dealing with residues not in the topology database Vitaly Chaban
[gmx-users] Dealing with residues not in the topology database Travis Craddock
[gmx-users] Dealing with residues not in the topology database Justin A. Lemkul
[gmx-users] Dealing with residues not in the topology database TJ Piggot
[gmx-users] Define: Energy groups tuhin at iitk.ac.in
[gmx-users] Define: Energy groups Tsjerk Wassenaar
[gmx-users] Define: Energy groups tuhin at iitk.ac.in
[gmx-users] Define: Energy groups Xavier Periole
[gmx-users] disulphide bonds rams rams
[gmx-users] disulphide bonds Tsjerk Wassenaar
[gmx-users] disulphide bonds rams rams
[gmx-users] disulphide bonds Justin A. Lemkul
[gmx-users] disulphide bonds rams rams
[gmx-users] disulphide bonds Justin A. Lemkul
[gmx-users] disulphide bonds rams rams
[gmx-users] disulphide bonds Justin A. Lemkul
[gmx-users] disulphide bonds Justin A. Lemkul
[gmx-users] disulphide bonds Tsjerk Wassenaar
[gmx-users] Does anyone have a DPPC bilayer? Jennifer Johnston
[gmx-users] Does anyone have a DPPC bilayer? Justin A. Lemkul
[gmx-users] Does GROMACS have a multi-thread implementation? Lee Soin
[gmx-users] Does GROMACS have a multi-thread implementation? Carsten Kutzner
[gmx-users] Does GROMACS have a multi-thread implementation? Lee Soin
[gmx-users] Does GROMACS have a multi-thread implementation? Carsten Kutzner
[gmx-users] Does GROMACS have a multi-thread implementation? Yang Ye
[gmx-users] Does GROMACS have a multi-thread implementation? Lee Soin
[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system minnale
[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system Justin A. Lemkul
[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system minnale
[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system minnale
[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system Syma Khalid
[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system minnale
[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system Justin A. Lemkul
[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system minnale
[gmx-users] Dynamical atom groups in 'index.ndx' Vitaly Chaban
[gmx-users] Dynamical atom groups in 'index.ndx' Vitaly Chaban
[gmx-users] Dynamical atom groups in 'index.ndx' Vitaly Chaban
[gmx-users] Enthalpy and entropy of binding from thermodynamic integration Robert Johnson
[gmx-users] Enthalpy and entropy of binding from thermodynamic integration Berk Hess
[gmx-users] Enthalpy and entropy of binding from thermodynamic integration David Mobley
[gmx-users] error in topology file hhhh huan
[gmx-users] error in topology file David van der Spoel
[gmx-users] error in topology file hhhh huan
[gmx-users] extract conformations !! Anamika Awasthi
[gmx-users] extract conformations !! Justin A. Lemkul
[gmx-users] extract conformations !! Florian Haberl
[gmx-users] extract conformations !! Mark Abraham
[gmx-users] fatal error in minimization Anamika Awasthi
[gmx-users] fatal error in minimization Mark Abraham
[gmx-users] ff53b6 for GROMACS 3.3.X? Mitchell Stanton-Cook
[gmx-users] ff53b6 for GROMACS 3.3.X? Berk Hess
[gmx-users] ff53b6 for GROMACS 3.3.X? Mitchell Stanton-Cook
[gmx-users] FFGMX. Units of a constant. Vitaly Chaban
[gmx-users] FFTW & Gromacs installation woes on AIX 5.3 Senthil Kumar M
[gmx-users] FFTW & Gromacs installation woes on AIX 5.3 Mark Abraham
[gmx-users] FFTW & Gromacs installation woes on AIX 5.3 Senthil Kumar M
[gmx-users] FFTW & Gromacs installation woes on AIX 5.3 Mark Abraham
[gmx-users] fix protein (backbone and sidechain) and equil. solvent Justin A. Lemkul
[gmx-users] fix protein (backbone and sidechain) and equil. solvent t.peter.Mueller at gmx.net
[gmx-users] forward and reverse free energy not consistant Li Qiang
[gmx-users] forward and reverse free energy not consistant Jochen Hub
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) friendli
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) Justin A. Lemkul
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) liqiang
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) Justin A. Lemkul
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) (Diana Lousa) ggroenh
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) (Diana Lousa) Li Qiang
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) David Mobley
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) Gerrit Groenhof
[gmx-users] Re: forward and reverse free energy not consistant (Li Qiang) Diana Lousa
[gmx-users] Frames problem s lal badshah
[gmx-users] Frames problem Mark Abraham
FW: [gmx-users] Dynamical atom groups in 'index.ndx' Berk Hess
FW: [gmx-users] Possible issues with CVS pull code 200800508 Berk Hess
Fw: Re: [gmx-users] bicelle gromacs MD simulation CG model? ANINDITA GAYEN
[gmx-users] g_density problem segmentation fault glibc detected himanshu khandelia
[gmx-users] g_density problem segmentation fault glibc detected Peyman Yamin
[gmx-users] g_density problem segmentation fault glibc detected maria goranovic
[gmx-users] g_dist shahrbanoo karbalaee
[gmx-users] g_dist Justin A. Lemkul
[gmx-users] g_energy to compute free energy difference yren
[gmx-users] Re: g_mdmat Art Poon
[gmx-users] g_mindist possible bug - missing a frame shayamra at post.tau.ac.il
[gmx-users] g_msd vs g_velacc Vitaly Chaban
[gmx-users] g_msd vs g_velacc Xavier Periole
[gmx-users] Re[2]: g_msd vs g_velacc Vitaly Chaban
[gmx-users] Re[2]: g_msd vs g_velacc Xavier Periole
[gmx-users] Re[3]: g_msd vs g_velacc Vitaly Chaban
[gmx-users] Re[4]: g_msd vs g_velacc. [SOLVED] Vitaly Chaban
[gmx-users] Re[4]: g_msd vs g_velacc. [SOLVED] Florian Dommert
[gmx-users] Re[4]: g_msd vs g_velacc. [SOLVED] Florian Dommert
[gmx-users] Re[5]: g_msd vs g_velacc. [SOLVED] Vitaly Chaban
[gmx-users] g_sas and vdwradii.dat Paul Whitford
[gmx-users] g_sas Vdwradii.dat maite lopez cabezas
[gmx-users] g_sas Vdwradii.dat Xavier Periole
[gmx-users] g_sas Vdwradii.dat Xavier Periole
[gmx-users] g_sas Vdwradii.dat David van der Spoel
[gmx-users] g_sas Vdwradii.dat maite lopez cabezas
[gmx-users] g_sas Vdwradii.dat David van der Spoel
[gmx-users] genconf problem ANINDITA GAYEN
[gmx-users] genconf problem Mark Abraham
[gmx-users] genion shahrbanoo karbalaee
[gmx-users] genion Tsjerk Wassenaar
[gmx-users] get structures shahrbanoo karbalaee
[gmx-users] get structures David van der Spoel
[gmx-users] gmx-test failed Sangamesh B
[gmx-users] gmx-test failed David van der Spoel
[gmx-users] RE: gmx-users Digest, Vol 50, Issue 17 Andrij
[gmx-users] Re: gmx-users Digest, Vol 50, Issue 97 eladp at elaine.tau.ac.il
[gmx-users] gmxcheck (warning or error, I don't know...) Alberto Sergio Garay
[gmx-users] Green-Cubo relation David van der Spoel
[gmx-users] Re: Green-Kubo relation Vitaly Chaban
[gmx-users] gromacs with icc and ifort DimitryASuplatov
[gmx-users] gromacs with icc and ifort David van der Spoel
[gmx-users] gromacs with icc and ifort DimitryASuplatov
[gmx-users] gromos parameterisation in OPLS ANINDITA GAYEN
[gmx-users] gromos parameterisation in OPLS Justin A. Lemkul
[gmx-users] gromos parameterisation in OPLS ANINDITA GAYEN
[gmx-users] gromos parameterisation in OPLS Justin A. Lemkul
[gmx-users] gromos parameterisation in OPLS ANINDITA GAYEN
[gmx-users] gromos parameterisation in OPLS Xavier Periole
[gmx-users] gromos parameterisation in OPLS Justin A. Lemkul
[gmx-users] gromos parameterisation in OPLS Marc F. Lensink
[gmx-users] grompp warnings Travis Craddock
[gmx-users] RE: grompp warnings Vitaly Chaban
[gmx-users] High number of steps are adding sudheer babu
[gmx-users] High number of steps are adding Tsjerk Wassenaar
[gmx-users] How to calculate dihedral angle ?? Chih-Ying Lin
AW: [gmx-users] How to calculate dihedral angle ?? serdar durdagi
[gmx-users] How to calculate dihedral angle ?? Justin A. Lemkul
[gmx-users] how to distancing the counter ions from the protein? jayant james
[gmx-users] how to distancing the counter ions from the protein? Mark Abraham
[gmx-users] how to distancing the counter ions from the protein? jayant james
[gmx-users] how to distancing the counter ions from the protein? Justin A. Lemkul
[gmx-users] how to make water moleculers disperse uniformly in box and why DMSO moleculers cannot position restrained Justin A. Lemkul
[gmx-users] how to make water moleculers disperse uniformly in box and why DMSO moleculers cannot position restrained wang kelvin
[gmx-users] how to select 'P' atom for g_msd sudheer babu
[gmx-users] how to select 'P' atom for g_msd Justin A. Lemkul
[gmx-users] how to simulate liquid-vapor interface of a solution at a low pressure Mark Abraham
[gmx-users] how to simulate liquid-vapor interface of a solution at a low pressure beibei
[gmx-users] Re: inconsistency in .pdb files h a
[gmx-users] Re: inconsistency in .pdb files Justin A. Lemkul
[gmx-users] instalation in FC7i386 Maximiliano A. Burgos Paci
[gmx-users] instalation in FC7i386 Jussi Lehtola
[gmx-users] instalation in FC7i386 Maximiliano A. Burgos Paci
[gmx-users] instalation in FC7i386 Justin A. Lemkul
[gmx-users] RE: instalation in FC7i386 Vitaly Chaban
[gmx-users] instalation in FC7i386 Jussi Lehtola
[gmx-users] insulin rams rams
[gmx-users] RE: insulin Vitaly Chaban
[gmx-users] insulin Justin A. Lemkul
[gmx-users] keeping 4 atoms on a plane fixed during md run Abu Naser
[gmx-users] RE: keeping 4 atoms on a plane fixed during md run Vitaly Chaban
Re: [gmx-users] keeping 4 atoms on a plane fixed during md run Нилов Дмитрий
[gmx-users] less number of 1-4 parameter combination Justin A. Lemkul
[gmx-users] less number of 1-4 parameter combination ANINDITA GAYEN
[gmx-users] Re: LINCS warning:relative constraint deviation after LINCS: Justin A. Lemkul
[gmx-users] Local pressure profiles Philip Shushkov
[gmx-users] Local pressure profiles David van der Spoel
[gmx-users] Local pressure profiles Philip Shushkov
[gmx-users] Re: low cpu usage Justin A. Lemkul
[gmx-users] low cpu usage ha salem
[gmx-users] low cpu usage Dr. Bernd Rupp
[gmx-users] low cpu usage Yang Ye
[gmx-users] low cpu usage Dr. Bernd Rupp
[gmx-users] low cpu usage Jussi Lehtola
[gmx-users] low cpu usage Yang Ye
[gmx-users] low cpu usage Dr. Bernd Rupp
[gmx-users] Low CPU usage multicore Justin A. Lemkul
[gmx-users] Low CPU usage multicore Mark Abraham
[gmx-users] RE: Low CPU usage multicore Vitaly Chaban
[gmx-users] Low CPU usage multicore ha salem
[gmx-users] Magic number error minnale
[gmx-users] Magic number error Tsjerk Wassenaar
[gmx-users] mass changes in free energy calculations friendli
[gmx-users] mass changes in free energy calculations David Mobley
[gmx-users] mass changes in free energy calculations Qiang Li
[gmx-users] mdp files jolander at rci.rutgers.edu
[gmx-users] mdp files Justin A. Lemkul
[gmx-users] RE: mdp files Vitaly Chaban
[gmx-users] RE: mdp files Tsjerk Wassenaar
[gmx-users] RE: mdp files jolander at rci.rutgers.edu
[gmx-users] RE: mdp files Justin A. Lemkul
[gmx-users] RE: mdp files Mark Abraham
[gmx-users] RE: mdp files Vitaly Chaban
[gmx-users] Meaning of CT, C_2, C_3 in ffoplsaabon.itp ANINDITA GAYEN
[gmx-users] Meaning of CT, C_2, C_3 in ffoplsaabon.itp Mark Abraham
[gmx-users] Meaning of CT, C_2, C_3 in ffoplsaabon.itp JMandumpal
[gmx-users] microtubles shenle at sjtu.edu.cn
[gmx-users] microtubles David van der Spoel
[gmx-users] Missing H's in NADH topology? Joaquim Rui Rodrigues
[gmx-users] modelling a new molecule in OPLS ANINDITA GAYEN
[gmx-users] modelling a new molecule in OPLS Justin A. Lemkul
[gmx-users] RE: modelling a new molecule in OPLS Vitaly Chaban
[gmx-users] RE: modelling a new molecule in OPLS Tsjerk Wassenaar
[gmx-users] Re: modifying g_mdmat Art Poon
[gmx-users] molecule broken Nguyen Hoang Phuong
[gmx-users] molecule broken Justin A. Lemkul
[gmx-users] MPICH2 and parallel Gromacs errors Casey,Richard
[gmx-users] MPICH2 and parallel Gromacs errors Art Poon
[gmx-users] MPICH2 and parallel Gromacs errors Dr. Bernd Rupp
[gmx-users] mpirun problem ha salem
[gmx-users] mpirun problem Carsten Kutzner
[gmx-users] mpirun problem Carsten Kutzner
[gmx-users] msd vs. time plot for molecules Michael Skaug
[gmx-users] RE: msd vs. time plot for molecules Vitaly Chaban
[gmx-users] multiple MD runs within ONE MD script Sebastian Stolzenberg
[gmx-users] multiple MD runs within ONE MD script David van der Spoel
[gmx-users] multiple MD runs within ONE MD script Sebastian Stolzenberg
[gmx-users] multiple MD runs within ONE MD script Mark Abraham
[gmx-users] mutation FE calculation with oplsaa Maik Goette
[gmx-users] mutation FE calculation with oplsaa Maik Goette
[gmx-users] mutation FE calculation with oplsaa friendli
[gmx-users] neighborsearching in semiisotropic systems Till Rudack
[gmx-users] neighborsearching in semiisotropic systems Justin A. Lemkul
[gmx-users] neighborsearching in semiisotropic systems Till Rudack
[gmx-users] neighborsearching in semiisotropic systems Justin A. Lemkul
[gmx-users] neighborsearching in semiisotropic systems Hannes Loeffler
[gmx-users] neighborsearching in semiisotropic systems Till Rudack
[gmx-users] neighborsearching in semiisotropic systems Berk Hess
[gmx-users] neighborsearching in semiisotropic systems Till Rudack
[gmx-users] neighborsearching in semiisotropic systems Berk Hess
[gmx-users] new topologies with carbon nanotubes for gromacs Vitaly Chaban
[gmx-users] new topologies with carbon nanotubes for gromacs jolander at rci.rutgers.edu
[gmx-users] Newbie question Andres Rojas Guerrero
[gmx-users] Newbie question Justin A. Lemkul
[gmx-users] Newbie question Marcus Kubitzki
[gmx-users] Newbie question Tsjerk Wassenaar
[gmx-users] ngmx,dssp not working sharada
[gmx-users] ngmx,dssp not working sharada
[gmx-users] ngmx,dssp not working Mark Abraham
[gmx-users] ngmx,dssp not working Nizamov Shawkat
[gmx-users] ngmx. molecules or atoms numbers? Vitaly Chaban
[gmx-users] ngmx. molecules or atoms numbers? Xavier Periole
[gmx-users] ngmx. molecules or atoms numbers? Vitaly Chaban
[gmx-users] ngmx. molecules or atoms numbers? Xavier Periole
[gmx-users] Nitrogen Flow over cylinder Andy Shelley
[gmx-users] Nitrogen Flow over cylinder David van der Spoel
[gmx-users] non-integer total charge of a Lysine molecule?? Sung Hyun Park
[gmx-users] RE: non-integer total charge of a Lysine molecule?? Vitaly Chaban
[gmx-users] non-integer total charge of a Lysine molecule?? Justin A. Lemkul
[gmx-users] non-integer total charge of a Lysine molecule?? Justin A. Lemkul
[gmx-users] non-integer total charge of a Lysine molecule?? Sung Hyun Park
[gmx-users] non-integer total charge of a Lysine molecule?? Justin A. Lemkul
[gmx-users] Number of water molecules Marcelo Fabricio Masman
[gmx-users] Number of water molecules Erik Marklund
[gmx-users] Re: PARADOCS Bjoern Olausson
[gmx-users] pbc-replica exchange-trjconv servaas michielssens
[gmx-users] pbc-replica exchange-trjconv Justin A. Lemkul
[gmx-users] pbc-replica exchange-trjconv Tsjerk Wassenaar
[gmx-users] Re: pbc-replica exchange-trjconv servaas michielssens
[gmx-users] Re: pbc-replica exchange-trjconv Tsjerk Wassenaar
[gmx-users] pbc-replica exchange-trjconv servaas michielssens
[gmx-users] PCA uses average structure or reference structure sunita gupta
[gmx-users] PCA uses average structure or reference structure Tsjerk Wassenaar
[gmx-users] Planar molecules / virtual sites Dimitris Dellis
[gmx-users] POPC structure minnale
[gmx-users] POPC structure Justin A. Lemkul
[gmx-users] Position Constraint Jae Hyun Park
[gmx-users] Position Constraint Mark Abraham
[gmx-users] Position Constraint Jochen Hub
[gmx-users] Possible issues with CVS pull code 200800508 Bjørn Steen Sæthre
[gmx-users] Possible issues with CVS pull code 200800508 Bjørn Steen Sæthre
[gmx-users] Possible issues with CVS pull code 200800508 Bjørn Steen Sæthre
[gmx-users] pressure coupling for self-assembly of bilayer LeeHwan-kyu
[gmx-users] problem about g_sas of POPC bilayer minnale
[gmx-users] problem about g_sas of POPC bilayer David van der Spoel
[gmx-users] Re: Re: problem about g_sas of POPC bilayer minnale
[gmx-users] Re: Re: problem about g_sas of POPC bilayer David van der Spoel
[gmx-users] problem to execute the parallelized CPMD in Gromacs/CPMD interface Yun-an Yan
[gmx-users] problem to execute the parallelized CPMD in Gromacs/CPMD interface Christian Seifert
[gmx-users] problem to execute the parallelized CPMD in Gromacs/CPMD interface Yun-an Yan
[gmx-users] Problem to save xtc file in single precision in 2 fs intervals Berk Hess
[gmx-users] Problem to save xtc file in single precision in 2 fs intervals Xavier Periole
[gmx-users] Problem to save xtc file in single precision in 2 fs intervals Alberto Sergio Garay
[gmx-users] problem with new sugar residue cesteban at unsl.edu.ar
[gmx-users] problem with new sugar residue Tsjerk Wassenaar
[gmx-users] problem with new sugar residue Justin A. Lemkul
[gmx-users] problem with new sugar residue cesteban at unsl.edu.ar
[gmx-users] problem with new sugar residue Tsjerk Wassenaar
[gmx-users] PRODRG2 to OPLS for a new molecule ANINDITA GAYEN
[gmx-users] PRODRG2 to OPLS for a new molecule ANINDITA GAYEN
[gmx-users] PRODRG2 to OPLS for a New Molecule ANINDITA GAYEN
[gmx-users] RE: Protein is moving out of box Vitaly Chaban
[gmx-users] Protein is moving out of box. Bhanu
[gmx-users] Protein is moving out of box. Tsjerk Wassenaar
[gmx-users] RE: Protein is moving out of box. Vitaly Chaban
[gmx-users] RE: Protein is moving out of box. Tsjerk Wassenaar
[gmx-users] RE: Protein is moving out of box. Vitaly Chaban
[gmx-users] RE: Protein is moving out of box. Xavier Periole
[gmx-users] Protein is moving out of box. chris.neale at utoronto.ca
[gmx-users] Protein is moving out of box. Tsjerk Wassenaar
[gmx-users] protein molecule fragmenting after addition of counter ions jayant james
[gmx-users] protein molecule fragmenting after addition of counter ions Mark Abraham
[gmx-users] pull code yields non-zero separations at t=0 chris.neale at utoronto.ca
[gmx-users] pull code yields non-zero separations at t=0 chris.neale at utoronto.ca
[gmx-users] QM/MM Ramon Crehuet
[gmx-users] Re: QM/MM (Ramon Crehuet) ggroenh
[gmx-users] RE[2] how to select 'P' atom for g_msd Vitaly Chaban
[gmx-users] regarding rmsd !! Anamika Awasthi
[gmx-users] regarding rmsd !! Per Larsson
[gmx-users] regarding rmsd !! Jochen Hub
[gmx-users] regarding rmsd !! Mark Abraham
[gmx-users] regarding trjconv Anamika Awasthi
[gmx-users] regarding trjconv Mark Abraham
AW: [gmx-users] relaxing proteins gradually - how to set constraints? Mark Abraham
[gmx-users] relaxing proteins gradually - how to set constraints? Sebastian Kruggel
[gmx-users] relaxing proteins gradually - how to set constraints? Justin A. Lemkul
[gmx-users] relaxing proteins gradually - how to set constraints? Bjoern Windshuegel
AW: [gmx-users] relaxing proteins gradually - how to set constraints? Sebastian Kruggel
[gmx-users] REMD problems Diego Nolasco
[gmx-users] REMD problems Marcus Kubitzki
[gmx-users] REMD problems Berk Hess
[gmx-users] REMD problems Diego Nolasco
[gmx-users] Retrieving .trr file? minnale
[gmx-users] Retrieving .trr file? Tsjerk Wassenaar
[gmx-users] Retrieving .trr file? minnale
[gmx-users] rigid linear molecules Vitaly Chaban
[gmx-users] RMSD graph Anamika Awasthi
[gmx-users] RMSD graph Mark Abraham
[gmx-users] RMSD, two simulations Michal Kolinski
[gmx-users] RMSD, two simulations Xavier Periole
[gmx-users] RMSD, two simulations Marcus Kubitzki
[gmx-users] Rte: I can't understand gmxcheck output "don't match ..." Berk Hess
[gmx-users] Rte: I can't understand gmxcheck output "don't match ..." Alberto Sergio Garay
[gmx-users] Rte: I can't understand gmxcheck output "don't match ..." Justin A. Lemkul
[gmx-users] run parallel ha salem
[gmx-users] run parallel Mark Abraham
[gmx-users] run parallel Carsten Kutzner
[gmx-users] run parallel ha salem
[gmx-users] run parallel Carsten Kutzner
[gmx-users] run parallel Mark Abraham
[gmx-users] Same values are showing when tried to plot rmsd minnale
[gmx-users] Same values are showing when tried to plot rmsd Florian Haberl
[gmx-users] Same values are showing when tried to plot rmsd Erik Marklund
[gmx-users] Same values are showing when tried to plot rmsd minnale
[gmx-users] Same values are showing when tried to plot rmsd Justin A. Lemkul
[gmx-users] Same values are showing when tried to plot rmsd Erik Marklund
[gmx-users] Same values are showing when tried to plot rmsd minnale
[gmx-users] Script: Loading .ndx files into PyMol weixin
[gmx-users] sd simulations Ran Friedman
[gmx-users] sd simulations Mark Abraham
[gmx-users] secondary structure s lal badshah
[gmx-users] secondary structure Peyman Yamin
[gmx-users] secondary structure Justin A. Lemkul
[gmx-users] secondary structure Mark Abraham
[gmx-users] Segmentation fault with gromacs 3.3.3 Cesar Avila
[gmx-users] Segmentation fault with gromacs 3.3.3 Cesar Avila
[gmx-users] Segmentation fault with gromacs 3.3.3 Cesar Avila
[gmx-users] Seperation of specific trajectory from whole trajectory file. Mark Abraham
[gmx-users] Seperation of specific trajectory from whole trajectory file. minnale
[gmx-users] Simulating Protein+Dextran/PEG Vigneshwar Ramakrishnan
[gmx-users] Simulating Protein+Dextran/PEG Justin A. Lemkul
[gmx-users] simulating Ubiquitinated protein AJIT DATTA
[gmx-users] simulating Ubiquitinated protein David van der Spoel
[gmx-users] specbond # bonds Grange Hermitage
[gmx-users] specbond # bonds Justin A. Lemkul
[gmx-users] specbond recognised but not built Grange Hermitage
[gmx-users] specbond recognised but not built Tsjerk Wassenaar
[gmx-users] specbond recognised but not built Grange Hermitage
[gmx-users] Specified frame doesn't exist or file not seekable sudheer babu
[gmx-users] Specified frame doesn't exist or file not seekable Mark Abraham
[gmx-users] step size too small minnale
[gmx-users] step size too small Tsjerk Wassenaar
[gmx-users] still problems with dodecahedron box and editconf Sebastian Kruggel
[gmx-users] still problems with dodecahedron box and editconf Jochen Hub
[gmx-users] Re: still problems with dodecahedron box and editconf Sebastian Kruggel
Subject: Re: [gmx-users] simulating Ubiquitinated protein AJIT DATTA
Subject: Re: [gmx-users] simulating Ubiquitinated protein Mark Abraham
[gmx-users] system contains proteins and DNAs with ffamber99 Dechang Li
[gmx-users] system contains proteins and DNAs with ffamber99 Vigneshwar Ramakrishnan
[gmx-users] system contains proteins and DNAs with ffamber99 Mark Abraham
[gmx-users] system contains proteins and DNAs with ffamber99 Balazs Jojart
[gmx-users] system contains proteins and DNAs with ffamber99 servaas michielssens
[gmx-users] T-Coupling group Serena Leone
[gmx-users] T-Coupling group Justin A. Lemkul
[gmx-users] Tee-rex compilation error Ramon Crehuet
[gmx-users] Tee-rex compilation error Justin A. Lemkul
[gmx-users] Tee-rex compilation error Marcus Kubitzki
[gmx-users] Tee-rex compilation error Marcus Kubitzki
[gmx-users] TEE-REX installation error TJ Piggot
[gmx-users] TEE-REX installation error Mark Abraham
[gmx-users] TEE-REX installation error TJ Piggot
[gmx-users] Terminal specification for DNA in Gro96 ff Vigneshwar Ramakrishnan
[gmx-users] Tersoff Brenner Potential in GMX jake wernik
[gmx-users] Re: The number of PME nodes Carsten Kutzner
[gmx-users] Re: The number of PME nodes Mark Abraham
[gmx-users] Re: The number of PME nodes Yang Ye
[gmx-users] Re: The number of PME nodes Yang Ye
[gmx-users] Re:the vapor-liquid interface of a solution at low pressure beibei
[gmx-users] Re:the vapor-liquid interface of a solution at low pressure Mark Abraham
[gmx-users] Time evolution of lipidbilayer minnale
[gmx-users] Time evolution of lipidbilayer Justin A. Lemkul
[gmx-users] Re:Time evolution of lipidbilayer minnale
[gmx-users] Re:Time evolution of lipidbilayer Justin A. Lemkul
[gmx-users] Re:Time evolution of lipidbilayer minnale
[gmx-users] To obtain a pdb file Miguel Ortiz-Lombardía
[gmx-users] To obtain a pdb file Mark Abraham
[gmx-users] To obtain a pdb file hhhh huan
[gmx-users] topology for c-alpha protein model Lillian Chong
[gmx-users] topology for c-alpha protein model Diego Nolasco
[gmx-users] tpbconv functionality Cesar Avila
[gmx-users] tpbconv functionality Tsjerk Wassenaar
[gmx-users] trjcat -demux servaas michielssens
[gmx-users] typo on manual 3.3 pdf Alan
[gmx-users] unable to run md after installing another gromacs 3.3.3 after 3.3.2 Mark Abraham
[gmx-users] unable to run md after installing another gromacs 3.3.3 after 3.3.2 Ross KK Leung
[gmx-users] Uncharged Lysine Charges on Hydrogens from NH2 group 0.36?? Joseph Schwartz
[gmx-users] Uncharged Lysine Charges on Hydrogens from NH2 group 0.36?? Joseph Schwartz
[gmx-users] RE: understanding about the deleted trajectory file Vitaly Chaban
[gmx-users] Understanding about the deleted trajectory file minnale
[gmx-users] Understanding about the deleted trajectory file Justin A. Lemkul
[gmx-users] Understanding about the deleted trajectory file minnale
[gmx-users] Understanding about the deleted trajectory file Justin A. Lemkul
[gmx-users] Understanding about the deleted trajectory file Tsjerk Wassenaar
[gmx-users] Understanding of OPLS-all atomic FF minnale
[gmx-users] Understanding of OPLS-all atomic FF Justin A. Lemkul
[gmx-users] Understanding of OPLS-all atomic FF minnale
[gmx-users] Understanding the concept of area per lipid calculation Jojart Balazs
[gmx-users] Understanding the concept of area per lipid calculation Mark Abraham
[gmx-users] Understanding the concept of area per lipid calculation minnale
[gmx-users] Understanding the concept of area per lipid calculation minnale
[gmx-users] unsolved topology problems. hhhh huan
[gmx-users] unsolved topology problems. hhhh huan
[gmx-users] unsolved topology problems. Mark Abraham
[gmx-users] user_defined_potential Sang-Min Park
[gmx-users] Vdwradii.dat uses (was Re: g_sas Vdwradii.dat) Allen Smith
[gmx-users] warning mesgs rams rams
[gmx-users] warning mesgs Justin A. Lemkul
[gmx-users] Re: warning mesgs rams rams
[gmx-users] Re: warning mesgs Justin A. Lemkul
[gmx-users] Re: warning mesgs rams rams
[gmx-users] Re: warning mesgs Nuno Azoia
[gmx-users] Re: warning mesgs Justin A. Lemkul
[gmx-users] Re: warning mesgs rams rams
[gmx-users] Re: warning mesgs rams rams
[gmx-users] what's the pdb file format containing five peptides? 那美荣
[gmx-users] what's the pdb file format containing five peptides? David van der Spoel
[gmx-users] Which ensemble for membrane proteins? sudheer babu
[gmx-users] Which ensemble for membrane proteins? Justin A. Lemkul
[gmx-users] yet another question about PBC... Ramon Crehuet
[gmx-users] yet another question about PBC... Justin A. Lemkul
回复： Re: [gmx-users] 2D projection and corresponding conformation xi zhao
回复： Re: [gmx-users] 2D projection and corresponding conformation Mark Abraham
回复： Re: 回复： Re: [gmx-users] 2D projection and corresponding conformation xi zhao
Re: 回复： Re: 回复： Re: [gmx-users] 2D projection and corresponding conformation Tsjerk Wassenaar

Last message date: Mon Jun 30 22:39:17 CEST 2008
Archived on: Thu Nov 14 12:04:46 CET 2013

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