November 2010 Archives by subject

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Starting: Mon Nov 1 00:13:27 CET 2010
Ending: Tue Nov 30 23:46:31 CET 2010
Messages: 858

[gmx-users] (no subject) Green
[gmx-users] (no subject) mustafa bilsel
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] (no subject) Daniel Adriano Silva M
[gmx-users] (no subject) Olga Ivchenko
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] -b -e atila petrosian
[gmx-users] -b -e Erik Wensink
[gmx-users] -b -e Mark Abraham
[gmx-users] -don (g-hbond) atila petrosian
[gmx-users] -don (g-hbond) Justin A. Lemkul
[gmx-users] -don (g-hbond) atila petrosian
[gmx-users] -don (g-hbond) Justin A. Lemkul
[gmx-users] -don (g-hbond) atila petrosian
[gmx-users] -don (g-hbond) Justin A. Lemkul
[gmx-users] -don (g-hbond) Erik Marklund
[gmx-users] ./mdrun lin hen
[gmx-users] ./mdrun Roland Schulz
[gmx-users] ./mdrun lin hen
[gmx-users] ./mdrun Justin A. Lemkul
[gmx-users] ./mdrun lin hen
[gmx-users] ./mdrun Justin A. Lemkul
[gmx-users] ./mdrun lin hen
[gmx-users] ./mdrun-gpu fatal error lin hen
[gmx-users] ./mdrun-gpu fatal error Justin A. Lemkul
[gmx-users] ./mdrun-gpu fatal error Justin A. Lemkul
[gmx-users] ./mdrun-gpu fatal error lin hen
[gmx-users] ./mdrun-gpu fatal error Justin A. Lemkul
[gmx-users] ./mdrun-gpu fatal error Szilárd Páll
[gmx-users] .itp for simple atom leila separdar
[gmx-users] .itp for simple atom ms
[gmx-users] .pqr to .pdb mohsen ramezanpour
[gmx-users] .pqr to .pdb Mark Abraham
[gmx-users] .pqr to .pdb Tsjerk Wassenaar
[gmx-users] 1-4 interaction, a distance greater than table size Amin Arabbagheri
[gmx-users] 1-4 interaction, a distance greater than table size Justin A. Lemkul
[gmx-users] 3 questions of gromacs 4.5.2 for both CPU and GPU lin hen
[gmx-users] 3 questions of gromacs 4.5.2 for both CPU and GPU lin hen
[gmx-users] 3 questions of gromacs 4.5.2 for both CPU and GPU Rossen Apostolov
[gmx-users] 4-site rigid body model Sanku M
[gmx-users] 4-site rigid body model Justin A. Lemkul
=?x-gbk?Q?=BB=D8=B8=B4=A3=BA_=5Bgmx-users=5D_How_to_?= =?x-gbk?Q?save_the_coordinates_of_all_atoms_in_the_2D-ar?= =?x-gbk?Q?rays_using_xdrfile=3F?= Mark Abraham
[gmx-users] [Fwd: charge group radii] Gavin Melaugh
[gmx-users] [Fwd: Use an altenative folder for itp files] Stephane Abel
[gmx-users] [Fwd: Use an altenative folder for itp files] Justin A. Lemkul
[gmx-users] [Fwd: Use an altenative folder for itp files] Mark Abraham
[gmx-users] Re: [gmx-developers] New release: 4.5.3 Rossen Apostolov
[gmx-developers] Re: [gmx-users] unexpexted stop of simulation Bogdan Costescu
[gmx-users] a bug in GMXRC.bash Ye MEI
[gmx-users] a bug in GMXRC.bash Roland Schulz
[gmx-users] a bug in GMXRC.bash Ye MEI
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? Florian Dommert
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? Mark Abraham
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? ms
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? ms
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? ms
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? Dallas Warren
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? Mark Abraham
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? ms
[gmx-users] A periodic boundary trajectory with lots of objects: how to get rid of artefacts? ms
[gmx-users] A warning concerning file ffnonbonded.itp overriding atomtype OT Hassan Shallal
[gmx-users] A warning concerning file ffnonbonded.itp overriding atomtype OT Justin A. Lemkul
[gmx-users] About simulating lipid bi-continuous cubic phase George Khelashvili
[gmx-users] About simulating lipid bi-continuous cubic phase Dallas Warren
[gmx-users] add a group to an amino acid hengame fallah
[gmx-users] add a group to an amino acid Justin A. Lemkul
[gmx-users] add a group to an amino acid hengame fallah
[gmx-users] add a group to an amino acid Mark Abraham
[gmx-users] add a group to an amino acid hengame fallah
[gmx-users] add a group to an amino acid Mark Abraham
[gmx-users] add a group to an amino acid hengame fallah
[gmx-users] add a group to an amino acid Mark Abraham
[gmx-users] add a group to an amino acid hengame fallah
[gmx-users] add a group to an amino acid Mark Abraham
[gmx-users] add a group to an amino acid hengame fallah
[gmx-users] add a group to an amino acid Mark Abraham
[gmx-users] add a group to an amino acid hengame fallah
[gmx-users] add a group to an amino acid Mark Abraham
[gmx-users] add a group to an amino acid hengame fallah
[gmx-users] Adding custom residue to Charmm FF in Gromacs César Ávila
[gmx-users] Adding custom residue to Charmm FF in Gromacs Justin A. Lemkul
[gmx-users] AMOEBA/AMBER 11 in Gromacs? J. Nathan Scott
[gmx-users] AMOEBA/AMBER 11 in Gromacs? Erik Marklund
[gmx-users] Area per atom pawan raghav
[gmx-users] Area per atom Mark Abraham
[gmx-users] Area per lipid calculation NG HUI WEN
[gmx-users] Area per lipid calculation Justin A. Lemkul
[gmx-users] Atomtype CMET not found Mina Madah
[gmx-users] Atomtype CMET not found Justin A. Lemkul
[gmx-users] Atomtype CMET not found Lucio Montero
[gmx-users] Attractive and repulsive components of Pot energy Sai Pooja
[gmx-users] Attractive and repulsive components of Pot energy Mark Abraham
[gmx-users] bitinilated peptide Gloria Saracino
[gmx-users] bitinilated peptide Justin A. Lemkul
[gmx-users] box shape mustafa bilsel
[gmx-users] box shape Justin A. Lemkul
[gmx-users] C6 attractive term off OPLSAA nishap.patel at utoronto.ca
[gmx-users] C6 attractive term off OPLSAA Justin A. Lemkul
[gmx-users] C6 attractive term off OPLSAA nishap.patel at utoronto.ca
[gmx-users] C6 attractive term off OPLSAA nishap.patel at utoronto.ca
[gmx-users] C6 attractive term off OPLSAA Justin A. Lemkul
[gmx-users] C6 attractive term off OPLSAA Mark Abraham
[gmx-users] Re: Can I have the mdp file? Pär Bjelkmar
[gmx-users] center peptide in simulation box leila karami
[gmx-users] center peptide in simulation box Mark Abraham
[gmx-users] center peptide in simulation box #ZHAO LINA#
[gmx-users] changing the velocity in trajectory file sreelakshmi ramesh
[gmx-users] changing the velocity in trajectory file Baofu Qiao
[gmx-users] changing the velocity in trajectory file sreelakshmi ramesh
[gmx-users] changing the velocity in trajectory file Justin A. Lemkul
[gmx-users] changing the velocity in trajectory file sreelakshmi ramesh
[gmx-users] changing the velocity in trajectory file Justin A. Lemkul
[gmx-users] changing the velocity in trajectory file sreelakshmi ramesh
[gmx-users] changing the velocity in trajectory file Bogdan Costescu
[gmx-users] changing the velocity in trajectory file Mark Abraham
[gmx-users] changing the velocity in trajectory file sreelakshmi ramesh
[gmx-users] changing the velocity in trajectory file sreelakshmi ramesh
[gmx-users] changing the velocity in trajectory file chris.neale at utoronto.ca
[gmx-users] changing the velocity in trajectory file Justin A. Lemkul
[gmx-users] changing the velocity in trajectory file Lutz Maibaum
[gmx-users] changing the velocity in trajectory file sreelakshmi ramesh
[gmx-users] changing the velocity in trajectory file Lutz Maibaum
[gmx-users] charge group radii Gavin Melaugh
[gmx-users] charge group radii Mark Abraham
[gmx-users] charge group radii Gavin Melaugh
[gmx-users] charge group radii Mark Abraham
[gmx-users] CHARMM FF and cmap Zuzana Benkova
[gmx-users] CHARMM FF and cmap Justin A. Lemkul
[gmx-users] charmm27 force filed bug for MET residue with vsites in gromacs 4.5.2 Berk Hess
[gmx-users] charmm27 force filed bug for MET residue with vsites in gromacs 4.5.2 BIN ZHANG
[gmx-users] Re: Charmm36 FF and membrane Thomas Piggot
[gmx-users] Re: Charmm36 FF and membrane Thomas Piggot
[gmx-users] checkpoint file and *.gro -- energy calculation Yongchul Chung
[gmx-users] checkpoint file and *.gro -- energy calculation Yongchul Chung
[gmx-users] checkpoint file and *.gro -- energy calculation Justin A. Lemkul
[gmx-users] checkpoint file and *.gro -- energy calculation Yongchul Chung
[gmx-users] checkpoint file and *.gro -- energy calculation Yongchul Chung
[gmx-users] checkpoint file and *.gro -- energy calculation Mark Abraham
[gmx-users] checkpoint file and *.gro -- energy calculation Yongchul Chung
[gmx-users] Claculating Equilibrium constants גדעון לפידות
[gmx-users] Claculating Equilibrium constants Ran Friedman
[gmx-users] clusters of conformations of a molecular structure using g_cluster 段宝根
[gmx-users] COM removal in Non_Equilibrium MD Sikandar Mashayak
[gmx-users] compressing two selections or just the reverse of pulling simulation Samrat Pal
[gmx-users] compressing two selections or just the reverse of pulling simulation Justin A. Lemkul
[gmx-users] compressing two selections or just the reverse of pulling simulation Samrat Pal
[gmx-users] continue Prod run from NPT eq Justin A. Lemkul
[gmx-users] continue Prod run from NPT eq Justin A. Lemkul
[gmx-users] continue Prod run from NPT eq manu.mura
[gmx-users] Converting between cartesian coordinates and torsion angles Martin Kamp Jensen
[gmx-users] Converting between cartesian coordinates and torsion angles Mark Abraham
[gmx-users] Converting between cartesian coordinates and torsion angles Martin Kamp Jensen
[gmx-users] Converting between cartesian coordinates and torsion angles Mark Abraham
[gmx-users] Cumulative coordination number? teklebrh at ualberta.ca
[gmx-users] cutoff values for amber ff Jarmila Husby
[gmx-users] cutoff values for amber ff Justin A. Lemkul
[gmx-users] deform option Green
[gmx-users] demo problems Rossella Noschese
[gmx-users] deprotonation and DNA luo jinghui
[gmx-users] deprotonation and DNA Erik Marklund
[gmx-users] detailed energies per interaction Efrat Noy
[gmx-users] detailed energies per interaction Mark Abraham
[gmx-users] difference between p(t) and c(t) shahab shariati
[gmx-users] Discrepancy between -chargegrp and -nochargegrp in simulations with CHARMM ff, Why ? Thomas Piggot
[gmx-users] Discrepancy between -chargegrp and -nochargegrp in simulations with CHARMM ff, Why ? Francesco Oteri
[gmx-users] Discrepancy between -chargegrp and -nochargegrp in simulations with CHARMM ff, Why ? Justin A. Lemkul
[gmx-users] Discrepancy between -chargegrp and -nochargegrp in simulations with CHARMM ff, Why ? sa
[gmx-users] disparity in RMSD calculation Yongchul Chung
[gmx-users] disparity in RMSD calculation Sunita Patel
[gmx-users] disparity in RMSD calculation Mark Abraham
[gmx-users] disparity in RMSD calculation X Rules
[gmx-users] disparity in RMSD calculation Sunita Patel
[gmx-users] disparity in RMSD calculation Sunita Patel
[gmx-users] disparity in RMSD calculation Sunita Patel
[gmx-users] Re: displacement of drug molecule Justin A. Lemkul
[gmx-users] Re: displacement of Drug molecule during position restrained MD Justin A. Lemkul
[gmx-users] Re: distance VS. direction option in Umbrella sampling, in Gromacs 4.0 (Justin A. Lemkul) Justin A. Lemkul
[gmx-users] distance VS. direction option in Umbrella sampling, in Gromacs 4.0 DeChang Li
[gmx-users] distance VS. direction option in Umbrella sampling, in Gromacs 4.0 Justin A. Lemkul
[gmx-users] Re: distance VS. direction option in Umbrella sampling, in Gromacs 4.0 (Justin A. Lemkul) DeChang Li
[gmx-users] DNA didnot wrap around CNT Siamkhanthang Neihsial
[gmx-users] DNA didnot wrap around CNT Justin A. Lemkul
[gmx-users] domain decomposition error Fabio Affinito
[gmx-users] domain decomposition error Mark Abraham
[gmx-users] dssp #ZHAO LINA#
[gmx-users] dssp Justin A. Lemkul
[gmx-users] dssp #ZHAO LINA#
[gmx-users] dssp Linus Östberg
[gmx-users] dssp Justin A. Lemkul
[gmx-users] dssp #ZHAO LINA#
[gmx-users] dssp #ZHAO LINA#
[gmx-users] dssp #ZHAO LINA#
[gmx-users] dssp Justin A. Lemkul
[gmx-users] dssp #ZHAO LINA#
[gmx-users] dssp Mark Abraham
[gmx-users] DSSP error ahmet yıldırım
[gmx-users] DSSP error #ZHAO LINA#
[gmx-users] DSSP error ahmet yıldırım
[gmx-users] DSSP error Justin A. Lemkul
[gmx-users] DSSP error Justin A. Lemkul
[gmx-users] DSSP error ahmet yıldırım
[gmx-users] DSSP error Justin A. Lemkul
[gmx-users] DSSP error Justin A. Lemkul
[gmx-users] DSSP error Ali Naqvi
[gmx-users] DSSP error ahmet yıldırım
[gmx-users] DSSP error Justin A. Lemkul
[gmx-users] DSSP error ahmet yıldırım
[gmx-users] DSSP error Justin A. Lemkul
[gmx-users] DSSP error ahmet yıldırım
[gmx-users] editconf mustafa bilsel
[gmx-users] editconf Tsjerk Wassenaar
[gmx-users] elastin mustafa bilsel
[gmx-users] elastin Justin A. Lemkul
[gmx-users] Electric field: phosphate moves in the wrong direction Susana Tomasio
[gmx-users] Electric field: phosphate moves in the wrong direction Susana Tomasio
[gmx-users] electrostatic interaction nishap.patel at utoronto.ca
[gmx-users] electrostatic interaction Mark Abraham
[gmx-users] electrostatic interaction Justin A. Lemkul
[gmx-users] electrostatic interaction nishap.patel at utoronto.ca
[gmx-users] electrostatic interaction Mark Abraham
[gmx-users] error found in gmx ITHAYARAJA
[gmx-users] error found in gmx Mark Abraham
[gmx-users] error found in gmx Tsjerk Wassenaar
[gmx-users] error in editconf step priyam saxena
[gmx-users] error in editconf step vinothkumar mohanakrishnan
[gmx-users] error in editconf step Roland Schulz
[gmx-users] error in editconf step Mark Abraham
[gmx-users] Re: error in grompp command Justin A. Lemkul
[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p) Justin A. Lemkul
[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p) X Rules
[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p) X Rules
[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p) Justin A. Lemkul
[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p) X Rules
[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p) Justin A. Lemkul
[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p) X Rules
[gmx-users] Error on Box Length when adding ions (gromacs 4.5.3/Charmm27/Tip3p) Justin A. Lemkul
[gmx-users] Error while using forcefield GROMOS 43a1p Jignesh Patel
[gmx-users] Error while using forcefield GROMOS 43a1p Justin A. Lemkul
[gmx-users] Re: Re: Error while using forcefield GROMOS 43a1p (Justin A. Lemkul) Jignesh Patel
[gmx-users] Re: Re: Error while using forcefield GROMOS 43a1p (Justin A. Lemkul) Jignesh Patel
[gmx-users] Exclude the 1-2 and 1-3 interactions Nilesh Dhumal
[gmx-users] Exclude the 1-2 and 1-3 interactions Justin A. Lemkul
[gmx-users] Exclude the 1-2 and 1-3 interactions Nilesh Dhumal
[gmx-users] Exclude the 1-2 and 1-3 interactions Justin A. Lemkul
[gmx-users] extending simulation without cpt file Yongchul Chung
[gmx-users] extending simulation without cpt file Justin A. Lemkul
[gmx-users] extending simulation without cpt file Mark Abraham
[gmx-users] extending simulation without cpt file Mark Abraham
[gmx-users] extending simulation without cpt file Yongchul Chung
[gmx-users] extending simulation without cpt file Hsin-Lin Chiang
[gmx-users] extending simulation without cpt file Mark Abraham
[gmx-users] extending simulation without cpt file Hsin-Lin Chiang
[gmx-users] extending simulation without cpt file Mark Abraham
[gmx-users] Extracting protein plus a shell of water from a .xtc file Paolo Conflitti
[gmx-users] Extracting protein plus a shell of water from a .xtc file Mark Abraham
[gmx-users] Failed to lock: pre.log (Gromacs 4.5.3) Baofu Qiao
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Baofu Qiao
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Carsten Kutzner
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Baofu Qiao
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Roland Schulz
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Baofu Qiao
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Roland Schulz
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Baofu Qiao
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Florian Dommert
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3) Neither of 4.5.1, 4.5.2 and 4.5.3 works Baofu Qiao
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3): SOLVED Baofu Qiao
[gmx-users] Re: Failed to lock: pre.log (Gromacs 4.5.3): SOLVED Roland Schulz
[gmx-users] find the relevant structure out #ZHAO LINA#
[gmx-users] find the relevant structure out Mark Abraham
[gmx-users] find the relevant structure out #ZHAO LINA#
[gmx-users] find the relevant structure out #ZHAO LINA#
[gmx-users] find the relevant structure out Justin A. Lemkul
[gmx-users] find the relevant structure out Tsjerk Wassenaar
[gmx-users] find the relevant structure out #ZHAO LINA#
[gmx-users] find the relevant structure out Mark Abraham
[gmx-users] find the relevant structure out #ZHAO LINA#
[gmx-users] fix center of mass vs fix residues close to COM 哦哦
[gmx-users] Free Energy Calculation: dVpot/dlambda is always zero Anirban Ghosh
[gmx-users] Free Energy Calculation: dVpot/dlambda is always zero Anirban Ghosh
[gmx-users] Free Energy Calculation: dVpot/dlambda is always zero Justin A. Lemkul
[gmx-users] Free Energy Calculation: dVpot/dlambda is always zero Anirban Ghosh
[gmx-users] Free Energy Calculation: dVpot/dlambda is always zero Justin A. Lemkul
[gmx-users] free energy perturbation antonio
[gmx-users] free energy perturbation Justin A. Lemkul
[gmx-users] Freeze Groups in Gromacs 4.5.x (bug?)!!! Miguel Machuqueiro
[gmx-users] Freeze Groups in Gromacs 4.5.x (bug?)!!! Mark Abraham
[gmx-users] Freeze Groups in Gromacs 4.5.x (bug?)!!! Miguel Machuqueiro
[gmx-users] Re: Freeze Groups in Gromacs 4.5.x (bug?)!!! Vitaly Chaban
[gmx-users] Fw: mpirun fahimeh baftizadeh
[gmx-users] Fw: mpirun Justin A. Lemkul
[gmx-users] Fwd: gmx-users Digest, Vol 79, Issue 102 Silvia Crivelli
[gmx-users] Fwd: gmx-users Digest, Vol 79, Issue 102 Mark Abraham
[gmx-users] g_cluster: optimal cutoff Fabio Affinito
[gmx-users] g_cluster: optimal cutoff Xiaohu Hu
[gmx-users] g_densmap options and use sa
[gmx-users] g_densmap options and use Mark Abraham
[gmx-users] g_densmap options and use Justin A. Lemkul
[gmx-users] g_densmap options and use Mark Abraham
[gmx-users] g_energy problem with 4.5.1 and 4.5.2 Michael Brunsteiner
[gmx-users] g_energy problem with 4.5.1 and 4.5.2 Sander Pronk
[gmx-users] Re: g_energy problem with 4.5.1 and 4.5.2 Michael Brunsteiner
[gmx-users] Re: g_energy problem with 4.5.1 and 4.5.2 Berk Hess
[gmx-users] Re: g_energy problem with 4.5.1 and 4.5.2 Sander Pronk
[gmx-users] Re: g_energy problem with 4.5.1 and 4.5.2 Rossen Apostolov
[gmx-users] g_hbond Carla Jamous
[gmx-users] g_hbond Erik Marklund
[gmx-users] g_hbond Erik Marklund
[gmx-users] g_hbond Carla Jamous
[gmx-users] g_hbond Erik Marklund
[gmx-users] g_hbond Carla Jamous
[gmx-users] g_hbond Oliver Grant
[gmx-users] g_hbond Erik Marklund
[gmx-users] g_hbond Erik Marklund
[gmx-users] g_hbond Carla Jamous
[gmx-users] g_hbond Erik Marklund
[gmx-users] g_hbond -ac -life shahab shariati
[gmx-users] g_hbond -ac -life shahab shariati
[gmx-users] g_hbond -ac -life Erik Marklund
[gmx-users] g_hbond -ac -life shahab shariati
[gmx-users] g_hbond -ac -life Erik Marklund
[gmx-users] g_hbond / hbmap.xpm file shahab shariati
[gmx-users] g_hbond / hbmap.xpm file Erik Marklund
[gmx-users] g_hbond / hbmap.xpm file shahab shariati
[gmx-users] g_hbond / hbmap.xpm file Justin A. Lemkul
[gmx-users] g_hbond / hbmap.xpm file shahab shariati
[gmx-users] g_hbond / hbmap.xpm file Justin A. Lemkul
[gmx-users] g_hbond / hbmap.xpm file shahab shariati
[gmx-users] g_hbond / hbmap.xpm file Justin A. Lemkul
[gmx-users] Re: g_hbond / hbmap.xpm file Thomas Schlesier
[gmx-users] g_hbond / lifetime shahab shariati
[gmx-users] g_hbond / lifetime Dallas Warren
[gmx-users] g_hbond / lifetime shahab shariati
[gmx-users] g_hbond / lifetime Dallas Warren
[gmx-users] g_hbond modification Robin C. Underwood
[gmx-users] g_hbond modification Justin A. Lemkul
[gmx-users] Re: g_hbond modification Robin C. Underwood
[gmx-users] Re: g_hbond modification Erik Marklund
[gmx-users] Re: g_hbond modification David van der Spoel
[gmx-users] g_rama problem about dihedrals Rebeca García Fandiño
[gmx-users] g_sas and g_rdf Carla Jamous
[gmx-users] g_sas resarea.xvg Carla Jamous
[gmx-users] g_sas resarea.xvg Justin A. Lemkul
[gmx-users] g_sas resarea.xvg Mark Abraham
[gmx-users] g_select / Input error or input inconsistency leila karami
[gmx-users] g_select / Input error or input inconsistency Justin A. Lemkul
[gmx-users] g_select / Input error or input inconsistency leila karami
[gmx-users] g_select / Input error or input inconsistency Justin A. Lemkul
[gmx-users] g_select / Input error or input inconsistency leila karami
[gmx-users] g_select / Input error or input inconsistency Justin A. Lemkul
[gmx-users] g_select / Input error or input inconsistency leila karami
[gmx-users] g_select / Input error or input inconsistency Justin A. Lemkul
[gmx-users] g_select / Input error or input inconsistency Teemu Murtola
[gmx-users] GB-polarization Christian Mücksch
[gmx-users] GB-polarization Per Larsson
[gmx-users] Re: GB-polarization Christian Mücksch
[gmx-users] Re: GB-polarization Justin A. Lemkul
[gmx-users] Re: GB-polarization Christian Mücksch
[gmx-users] Re: GB-polarization Justin A. Lemkul
[gmx-users] Re: GB-polarization Per Larsson
[gmx-users] genbox generating acetonitrile box with holes Diana Lousa
[gmx-users] genbox generating acetonitrile box with holes Justin A. Lemkul
[gmx-users] genbox generating acetonitrile box with holes Mark Abraham
[gmx-users] Re: genbox generating acetonitrile box with holes Vitaly Chaban
[gmx-users] Re: genbox generating acetonitrile box with holes Vitaly Chaban
[gmx-users] Re: genbox generating acetonitrile box with holes Vitaly Chaban
[gmx-users] Re: genbox generating acetonitrile box with holes Tsjerk Wassenaar
[gmx-users] Re: genbox generating acetonitrile box with holes Vitaly Chaban
[gmx-users] Re: genbox generating acetonitrile box with holes Diana Lousa
[gmx-users] Re: genbox generating acetonitrile box with holes Tsjerk Wassenaar
[gmx-users] Re: genbox generating acetonitrile box with holes Diana Lousa
[gmx-users] Re: genbox generating acetonitrile box with holes Tsjerk Wassenaar
[gmx-users] Re: genbox generating acetonitrile box with holes Vitaly Chaban
[gmx-users] Generalized Born in GROMACS manual Ehud Schreiber
[gmx-users] genion writes a log file? Justin A. Lemkul
[gmx-users] GFP chromophore topology help Ramachandran G
[gmx-users] GFP chromophore topology help Justin A. Lemkul
[gmx-users] GFP chromophore topology help Ramachandran G
[gmx-users] GFP chromophore topology help Ramachandran G
[gmx-users] GFP chromophore topology help Justin A. Lemkul
[gmx-users] GFP chromophore topology help Ramachandran G
[gmx-users] GFP chromophore topology help Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 79, Issue 114 ITHAYARAJA
[gmx-users] Re: gmx-users Digest, Vol 79, Issue 124 Stephane Abel
[gmx-users] Re: gmx-users Digest, Vol 79, Issue 152 J. Nathan Scott
[gmx-users] Re: gmx-users Digest, Vol 79, Issue 167 sa
[gmx-users] Re: gmx-users Digest, Vol 79, Issue 167 Thomas Piggot
[gmx-users] Re:Re: gmx-users Digest, Vol 79, Issue 8 Amin Arabbagheri
[gmx-users] Re:Re: gmx-users Digest, Vol 79, Issue 8 Mark Abraham
[gmx-users] Re: gmx-users Digest, Vol 79, Issue 88 sa
[gmx-users] Re: gmx-users Digest, Vol 79, Issue 89 sa
[gmx-users] gpu Erik Wensink
[gmx-users] gpu Rossen Apostolov
[gmx-users] gpu Erik Wensink
[gmx-users] GridCount babu gokul
[gmx-users] RE: gro file and topology files Nimesh Jain
[gmx-users] RE: gro file and topology files Justin A. Lemkul
[gmx-users] RE: gro file and topology files Nimesh Jain
[gmx-users] Gromacs "Quotes" Sikandar Mashayak
[gmx-users] Gromacs "Quotes" David van der Spoel
[gmx-users] Gromacs 4.5 build problems Miah Wadud Dr (ITCS)
[gmx-users] Gromacs 4.5 build problems Roland Schulz
[gmx-users] grompp error version 4.5.2 Adva Suez
[gmx-users] grompp error version 4.5.2 Mark Abraham
[gmx-users] grompp error version 4.5.2 Adva Suez
[gmx-users] hblife.xvg and hbac.xvg files shahab shariati
[gmx-users] hblife.xvg and hbac.xvg files shahab shariati
[gmx-users] heme shahid nayeem
[gmx-users] heme Erik Marklund
[gmx-users] heme Justin A. Lemkul
[gmx-users] heme shahid nayeem
[gmx-users] heme shahid nayeem
[gmx-users] Re: HEME Charmm Force field in Gromacs format Pär Bjelkmar
[gmx-users] High Temperature 498 K, NVT or NTP ? Chih-Ying Lin
[gmx-users] High Temperature 498 K, NVT or NTP ? Tsjerk Wassenaar
[gmx-users] High Temprature MD with scaled params Sai Pooja
[gmx-users] High Temprature MD with scaled params chris.neale at utoronto.ca
[gmx-users] Re: High Temprature MD with scaled params Vitaly Chaban
[gmx-users] how to calculate per-atom energies Silvia Crivelli
[gmx-users] how to calculate per-atom energies Mark Abraham
[gmx-users] How to obtain the coordinates of atom 100 with number in the frame 100 using xdrfile in C code 英雄不再寂寞
[gmx-users] How to obtain the coordinates of atom 100 with number in the frame 100 using xdrfile in C code David van der Spoel
[gmx-users] How to save the coordinates of all atoms in the 2D-arrays using xdrfile? Mark Abraham
[gmx-users] How to save the coordinates of all atoms in the 2D-arrays using xdrfile? 英雄不再寂寞
[gmx-users] hydration maps babu gokul
[gmx-users] Implementation of Andersen Thermostat sapna sarupria
[gmx-users] installation Rossella Noschese
[gmx-users] installation Carsten Kutzner
[gmx-users] installation Justin A. Lemkul
[gmx-users] installation Rossella Noschese
[gmx-users] installation Rossella Noschese
[gmx-users] installation of gromacs on windows using cygwin bharat gupta
[gmx-users] installation of gromacs on windows using cygwin Szilárd Páll
[gmx-users] installation of gromacs on windows using cygwin Mark Abraham
[gmx-users] installation of gromacs on windows using cygwin bharat gupta
[gmx-users] installation of gromacs on windows using cygwin bharat gupta
[gmx-users] installation of gromacs on windows using cygwin Justin A. Lemkul
[gmx-users] installation of gromacs on windows using cygwin Mark Abraham
[gmx-users] Installing gromacs in Red hat E5 Kamalesh Roy
[gmx-users] Installing gromacs in Red hat E5 Mark Abraham
[gmx-users] Installing gromacs in Red hat E5 Krzysztof Mlynarczyk
[gmx-users] Installing mdrun-gpu Using Gromacs-4.5.3 Solomon Berman
[gmx-users] Installing mdrun-gpu Using Gromacs-4.5.3 Rossen Apostolov
[gmx-users] Installing mdrun-gpu Using Gromacs-4.5.3 Solomon Berman
[gmx-users] Installing mdrun-gpu Using Gromacs-4.5.3 Szilárd Páll
[gmx-users] intra-chain peptide bond Semin Lee
[gmx-users] intra-chain peptide bond Justin A. Lemkul
[gmx-users] intra-chain peptide bond Justin A. Lemkul
[gmx-users] Ions and charge groups Guido Polles
[gmx-users] Ions and charge groups Justin A. Lemkul
[gmx-users] Ions and charge groups Justin A. Lemkul
[gmx-users] kind of contacts in protein-dna interaction during simulation leila karami
[gmx-users] kind of contacts in protein-dna interaction during simulation Mark Abraham
[gmx-users] kind of contacts in protein-dna interaction during simulation leila karami
[gmx-users] kind of contacts in protein-dna interaction during simulation Mark Abraham
[gmx-users] Large Periodic Molecule Rogan Carr
[gmx-users] ligand parameters (was Re: gmx-users Digest, Vol 79, Issue 114) Justin A. Lemkul
[gmx-users] LINCS vs SHAKE thompsjj at purdue.edu
[gmx-users] LINCS vs SHAKE Sai Pooja
[gmx-users] LINCS vs SHAKE Mark Abraham
[gmx-users] LINCS vs SHAKE thompsjj at purdue.edu
[gmx-users] LINCS vs SHAKE Sai Pooja
[gmx-users] LINCS vs SHAKE thompsjj at purdue.edu
[gmx-users] LINCS Warnings in the middle of an MD run Shi Wenxiong (Dr)
[gmx-users] Looking for Gromacs test users Wibke Sudholt
[gmx-users] Martini parameters for formyl group George Khelashvili
[gmx-users] mdrun -rerun: bonded interactions of protein NG HUI WEN
[gmx-users] mdrun -rerun: bonded interactions of protein Justin A. Lemkul
[gmx-users] mdrun -rerun: bonded interactions of protein Mark Abraham
[gmx-users] mdrun -rerun: bonded interactions of protein NG HUI WEN
[gmx-users] mdrun -rerun: bonded interactions of protein Mark Abraham
[gmx-users] mdrun -rerun: bonded interactions of protein NG HUI WEN
[gmx-users] mdrun -rerun: bonded interactions of protein Justin A. Lemkul
[gmx-users] mdrun -rerun: bonded interactions of protein NG HUI WEN
[gmx-users] mdrun crashed with tables Sai Pooja
[gmx-users] mdrun crashed with tables ms
[gmx-users] mdrun crashed with tables Mark Abraham
[gmx-users] mdrun crashed with tables Sai Pooja
[gmx-users] mdrun in gmx 4.5.1: how to reprogram periodic boundary conditions? Adam Herbst
[gmx-users] mdrun in gmx 4.5.1: how to reprogram periodic boundary conditions? Mark Abraham
[gmx-users] Modifying gromacs Sai Pooja
[gmx-users] Modifying gromacs Sai Pooja
[gmx-users] Molecular dynamics hydration site babu gokul
[gmx-users] Molecular dynamics hydration site Mark Abraham
[gmx-users] mpdboot and mpirun hangs (not crashing) X Rules
[gmx-users] mpdboot and mpirun hangs (not crashing) Mark Abraham
[gmx-users] mpdboot and mpirun hangs (not crashing) X Rules
[gmx-users] mpirun fahimeh baftizadeh
[gmx-users] multiple torsions for one dihedral Amin Arabbagheri
[gmx-users] multiple torsions for one dihedral Mark Abraham
[gmx-users] multiplicity for qmmm simulations Pradip Biswas
[gmx-users] mutiple dihedral terms Sanku M
[gmx-users] mutiple dihedral terms Justin A. Lemkul
[gmx-users] mutiple dihedral terms Mark Abraham
[gmx-users] NEMD Junqiao Lee
[gmx-users] Re: NEMD Junqiao Lee
[gmx-users] Re: NEMD Mark Abraham
[gmx-users] Re: NEMD Junqiao Lee
[gmx-users] Re: NEMD Junqiao Lee
[gmx-users] Re: NEMD Junqiao Lee
[gmx-users] Re: NEMD Junqiao Lee
[gmx-users] Re: NEMD Junqiao Lee
[gmx-users] New release of Wordom, molecular analysis program michele seeber
[gmx-users] New release: 4.5.2 Rossen Apostolov
[gmx-users] ngmx in windows bharat gupta
[gmx-users] ngmx in windows Roland Schulz
[gmx-users] ngmx in windows Mark Abraham
[gmx-users] ngmx in windows bharat gupta
[gmx-users] Non Equilibrium MD Apoorv Kalyankar
[gmx-users] Non Equilibrium MD chris.neale at utoronto.ca
[gmx-users] nonbond_params scaled for forcefield Sai Pooja
[gmx-users] nonbond_params scaled for forcefield Justin A. Lemkul
[gmx-users] nonbond_params scaled for forcefield Sai Pooja
[gmx-users] Nose-Hoover Thermostat for Non Equilibrium Simulations Apoorv Kalyankar
[gmx-users] noxvgr #ZHAO LINA#
[gmx-users] noxvgr Justin A. Lemkul
[gmx-users] noxvgr #ZHAO LINA#
[gmx-users] noxvgr Florian Dommert
[gmx-users] noxvgr Justin A. Lemkul
[gmx-users] noxvgr #ZHAO LINA#
[gmx-users] number of coordinates in pdb file does not match number of coordinates in topology file Justin A. Lemkul
[gmx-users] number of coordinates in pdb file does not match number of coordinates in topology file Taylor Kaplan
[gmx-users] nve run of carbon nanotube Adwait Mevada
[gmx-users] Re: nve run of carbon nanotube Vitaly Chaban
[gmx-users] Re: nve run of carbon nanotube Justin A. Lemkul
[gmx-users] Re: nve run of carbon nanotube Vitaly Chaban
[gmx-users] Re: nve run of carbon nanotube Justin A. Lemkul
[gmx-users] Re: nve run of carbon nanotube Adwait Mevada
[gmx-users] Re: nve run of carbon nanotube Vitaly Chaban
[gmx-users] Re: nve run of carbon nanotube Adwait Mevada
[gmx-users] Re: nve run of carbon nanotube Justin A. Lemkul
[gmx-users] Re: nve run of carbon nanotube Vitaly Chaban
[gmx-users] Re: nve run of carbon nanotube Adwait Mevada
[gmx-users] Re: nve run of carbon nanotube Justin A. Lemkul
[gmx-users] Re: nve run of carbon nanotube Adwait Mevada
[gmx-users] on calculation of the atomic covariance Vigneshwar Ramakrishnan
[gmx-users] on calculation of the atomic covariance Justin A. Lemkul
[gmx-users] on calculation of the atomic covariance Vigneshwar Ramakrishnan
[gmx-users] on calculation of the atomic covariance Vigneshwar Ramakrishnan
[gmx-users] on calculation of the atomic covariance Tsjerk Wassenaar
[gmx-users] on calculation of the atomic covariance Vigneshwar Ramakrishnan
[gmx-users] Pairwise forces Reiner Ribarics
[gmx-users] Pairwise forces Mark Abraham
[gmx-users] Pairwise forces Bogdan Costescu
[gmx-users] Pairwise forces Reiner Ribarics
[gmx-users] Parallel do_dssp analysis over mpi? Ali Naqvi
[gmx-users] Parallel do_dssp analysis over mpi? Justin A. Lemkul
[gmx-users] Parallel do_dssp analysis over mpi? Erik Marklund
[gmx-users] Parallel do_dssp analysis over mpi? Justin A. Lemkul
[gmx-users] Parallel do_dssp analysis over mpi? Erik Marklund
[gmx-users] Parallel do_dssp analysis over mpi? Erik Marklund
[gmx-users] Parallel do_dssp analysis over mpi? Mark Abraham
[gmx-users] Parallel do_dssp analysis over mpi? Ali Naqvi
[gmx-users] Parameterization YUVRAJ UBOVEJA
[gmx-users] Parameterization Anthony Cruz Balberdi
[gmx-users] Parameterization Oliver Grant
[gmx-users] pdb file problem benrezkallah djamila
[gmx-users] pdb file problem Justin A. Lemkul
[gmx-users] perl script for g_hbond leila karami
[gmx-users] perl script for g_hbond Carla Jamous
[gmx-users] perl script for g_hbond leila karami
[gmx-users] perl script for g_hbond Justin A. Lemkul
[gmx-users] perl script for g_hbond leila karami
[gmx-users] perl script for g_hbond Justin A. Lemkul
[gmx-users] perl script for g_hbond leila karami
[gmx-users] perl script for g_hbond Justin A. Lemkul
[gmx-users] perl script for g_hbond leila karami
[gmx-users] perl script for g_hbond Justin A. Lemkul
[gmx-users] perl script for g_hbond leila karami
[gmx-users] perl script for g_hbond Olga Ivchenko
[gmx-users] perl script for g_hbond Justin A. Lemkul
[gmx-users] perl script for g_hbond Olga Ivchenko
[gmx-users] perl script for g_hbond Erik Marklund
[gmx-users] perl script for g_hbond / summary_HBmap.dat leila karami
[gmx-users] perl script for g_hbond / summary_HBmap.dat Justin A. Lemkul
[gmx-users] perl script for g_hbond / summary_HBmap.dat leila karami
[gmx-users] perl script for g_hbond / summary_HBmap.dat Erik Marklund
[gmx-users] perl script for g_hbond / summary_HBmap.dat leila karami
[gmx-users] perl script for g_hbond / summary_HBmap.dat Erik Marklund
[gmx-users] Re: perl script for g_hbond / summary_HBmap.dat Causgrove, Tim
[gmx-users] perl script for g_hbond / summary_HBmap.dat leila karami
[gmx-users] perl script for g_hbond / summary_HBmap.dat Erik Marklund
[gmx-users] perl script for g_hbond / summary_HBmap.dat leila karami
[gmx-users] perl script for g_hbond / summary_HBmap.dat Erik Marklund
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Yudong Sun
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Justin A. Lemkul
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Mark Abraham
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Yudong Sun
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Roland Schulz
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Yudong Sun
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Roland Schulz
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Mark Abraham
[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so Yudong Sun
[gmx-users] Phosphorylated Serine in charmm Yasmine Chebaro
[gmx-users] Phosphorylated Serine in charmm Justin A. Lemkul
[gmx-users] Re: Please help me solve this fatal error Justin A. Lemkul
[gmx-users] Position restrained.. pawan raghav
[gmx-users] Position restrained.. Mark Abraham
[gmx-users] potassium ion incorporation in GROMOS53a6 forcefield Jignesh Patel
[gmx-users] potassium ion incorporation in GROMOS53a6 forcefield Erik Marklund
[gmx-users] potassium ion incorporation in GROMOS53a6 forcefield #ZHAO LINA#
[gmx-users] potassium ion incorporation in GROMOS53a6 forcefield #ZHAO LINA#
[gmx-users] PR pawan raghav
[gmx-users] PR Florian Dommert
[gmx-users] PR Mark Abraham
[gmx-users] PR Zhe Wu
[gmx-users] PR pawan raghav
[gmx-users] PR Justin A. Lemkul
[gmx-users] Preserving chain id/information when using editconf (gromacs 4.0.7) Shay Teaching
[gmx-users] Re: Preserving chain id/information when using editconf (gromacs 4.0.7) Shay Teaching
[gmx-users] pressure of the liquid in NPT and NVT Vitaly Chaban
[gmx-users] pressure of the liquid in NPT and NVT Mark Abraham
[gmx-users] Re: pressure of the liquid in NPT and NVT Vitaly Chaban
[gmx-users] Re: pressure of the liquid in NPT and NVT Dallas Warren
[gmx-users] Re: pressure of the liquid in NPT and NVT Tsjerk Wassenaar
[gmx-users] Principal axis (g_principal) chris.neale at utoronto.ca
[gmx-users] Probability contact map from g_mdmat Ali Naqvi
[gmx-users] Probability contact map from g_mdmat Mark Abraham
[gmx-users] problem in executing genbox command bharat gupta
[gmx-users] problem in executing genbox command Mark Abraham
[gmx-users] problem in executing genbox command bharat gupta
[gmx-users] problem in executing genbox command ms
[gmx-users] problem linking fftw2 with gromacs 4.5.3 Fabio Affinito
[gmx-users] problem linking fftw2 with gromacs 4.5.3 Mark Abraham
[gmx-users] problem linking fftw2 with gromacs 4.5.3 Fabio Affinito
[gmx-users] problem of tabulated bonded potential Z.Xiao
[gmx-users] problem of tabulated bonded potential XAvier Periole
[gmx-users] Re: problem of tabulated bonded potential Z.Xiao
[gmx-users] Re: problem of tabulated bonded potential XAvier Periole
[gmx-users] Problem regarding Gromacs - GPU kapil mathur
[gmx-users] Problem regarding Gromacs - GPU Szilárd Páll
[gmx-users] Problem regarding Gromacs - GPU Rossen Apostolov
[gmx-users] Problem with coulombtype=user and 1,4 interactions Christian Mücksch
[gmx-users] problem with g_density vinothkumar mohanakrishnan
[gmx-users] problem with g_density Justin A. Lemkul
[gmx-users] problem with g_density chris.neale at utoronto.ca
[gmx-users] problem with g_density Justin A. Lemkul
[gmx-users] problem with g_density chris.neale at utoronto.ca
[gmx-users] Problem with large number of frames only one frame can be read from trajectory bug ? Mark Abraham
[gmx-users] Problem with large number of frames only one frame can be read from trajectory bug ? maria goranovic
[gmx-users] Problem with large number of frames only one frame can be read from trajectory bug ? maria goranovic
[gmx-users] protein folding mohsen ramezanpour
[gmx-users] protein folding Mark Abraham
[gmx-users] protein folding ms
[gmx-users] protein folding Thomas Evangelidis
[gmx-users] protein folding David van der Spoel
[gmx-users] protein folding Lutz Maibaum
[gmx-users] protein folding mohsen ramezanpour
[gmx-users] protein folding mohsen ramezanpour
[gmx-users] Protein in Electric Field S. Mohamadi
[gmx-users] Protein in Electric Field Mark Abraham
[gmx-users] question Raymond
[gmx-users] question Mark Abraham
Re: Re: [gmx-users] question Raymond
[gmx-users] question about simualtion of CNT from a rookie Ye MEI
[gmx-users] Question about Wall Potential Bert
[gmx-users] question on KALP-15 in DPPC tutorial Amit Choubey
[gmx-users] question on KALP-15 in DPPC tutorial Mark Abraham
[gmx-users] question on KALP-15 in DPPC tutorial Justin A. Lemkul
[gmx-users] question on KALP-15 in DPPC tutorial Amit Choubey
[gmx-users] question regarding to PMF calculation between 2 plates Zhe Wu
[gmx-users] question regarding to PMF calculation between 2 plates chris.neale at utoronto.ca
[gmx-users] question regarding to PMF calculation between 2 plates Zhe Wu
[gmx-users] questions about umbrella sampling mircial at sjtu.edu.cn
[gmx-users] questions about umbrella sampling mircial at sjtu.edu.cn
[gmx-users] questions about umbrella sampling chris.neale at utoronto.ca
R: [gmx-users] xtc corrupted during REMD Spitaleri Andrea
[gmx-users] Radius of Gyration C. Batistakis
[gmx-users] Radius of Gyration Dmitri Dubov
[gmx-users] rdf wrong convergence Mark Abraham
[gmx-users] rdf wrong convergence Raymond
[gmx-users] Reg: Interfacial tension vinothkumar mohanakrishnan
[gmx-users] Reg: Interfacial tension vinothkumar mohanakrishnan
[gmx-users] Reg: pcoupling and ref_p vinothkumar mohanakrishnan
[gmx-users] Reg: Surface tension ref_p vinothkumar mohanakrishnan
[gmx-users] Reg: Unit Of Surface Tension vinothkumar mohanakrishnan
[gmx-users] Reg: Unit Of Surface Tension Sven
[gmx-users] Reg:Density Profile vinothkumar mohanakrishnan
[gmx-users] Reg:Usage of Walls vinothkumar mohanakrishnan
[gmx-users] Reg:walls and pbc xy vinothkumar mohanakrishnan
[gmx-users] Reg:walls and pbc xy Berk Hess
[gmx-users] Reg:walls and pbc xy vinothkumar mohanakrishnan
[gmx-users] Reg:walls and pbc xy Berk Hess
[gmx-users] Reg:walls and pbc xy vinothkumar mohanakrishnan
[gmx-users] Reg:walls and pbc xy Berk Hess
[gmx-users] Reg:walls and pbc xy vinothkumar mohanakrishnan
[gmx-users] Reg:walls and pbc xy vinothkumar mohanakrishnan
[gmx-users] Reg:walls and pbc xy Sander Pronk
[gmx-users] Reg:walls and pbc xy Berk Hess
[gmx-users] regarding error in editconf Anamika Awasthi
[gmx-users] regarding error in editconf Justin A. Lemkul
[gmx-users] Regarding masses in Martini force field George Khelashvili
[gmx-users] Regarding masses in Martini force field Lutz Maibaum
[gmx-users] Replica exchange Sai Pooja
[gmx-users] Replica exchange ms
[gmx-users] Replica exchange ms
[gmx-users] Replica exchange Mark Abraham
[gmx-users] Replica exchange with scaled topology files Sai Pooja
[gmx-users] Replica exchange with scaled topology files Mark Abraham
[gmx-users] request leila separdar
[gmx-users] request Amit Choubey
[gmx-users] request leila separdar
[gmx-users] request Mark Abraham
Res: [gmx-users] Standard Procedures to perform MD under High Temperature 498 K, either NVT or NTP ? Ricardo O. S. Soares
[gmx-users] Residue Residue Contact nahren manuel
[gmx-users] Residue Residue Contact Erik Marklund
[gmx-users] RMSD and Resolution ahmet yıldırım
[gmx-users] RMSD and Resolution Tsjerk Wassenaar
[gmx-users] Role of epsilon_rf in implicit solvation Christian Mücksch
[gmx-users] Role of epsilon_rf in implicit solvation Per Larsson
[gmx-users] rotate a .xtc file? chris.neale at utoronto.ca
[gmx-users] rotate a .xtc file? Roland Schulz
[gmx-users] rotate a .xtc file? chris.neale at utoronto.ca
[gmx-users] Run input file prepared by different gmx version Deniz KARASU
[gmx-users] Run input file prepared by different gmx version Mark Abraham
[gmx-users] Single atom charge group implementation for CHARMM27 in 4.5.2 Thomas Piggot
[gmx-users] Single atom charge group implementation for CHARMM27 in 4.5.2 Berk Hess
[gmx-users] Single atom charge group implementation for CHARMM27 in 4.5.2 Berk Hess
[gmx-users] Single atom charge group implementation for CHARMM27 in 4.5.2 Pär Bjelkmar
[gmx-users] Single atom charge group implementation for CHARMM27 in 4.5.2 Thomas Piggot
[gmx-users] Spurious results with pdb2gmx -chargegrp "yes" option sa
[gmx-users] Standard Procedures to perform MD under High Temperature 498 K, either NVT or NTP ? Chih-Ying Lin
[gmx-users] still can not run md for creatine Olga Ivchenko
[gmx-users] still can not run md for creatine Mark Abraham
[gmx-users] Re: still can not run md for creatine Vitaly Chaban
[gmx-users] Re: still can not run md for creatine Olga Ivchenko
[gmx-users] Re: still can not run md for creatine Vitaly Chaban
[gmx-users] Re: still can not run md for creatine Mark Abraham
[gmx-users] Re: still can not run md for creatine Justin A. Lemkul
[gmx-users] Re: still can not run md for creatine Esteban Gabriel Vega Hissi
[gmx-users] Re: still can not run md for creatine Justin A. Lemkul
Subject: Re: [gmx-users] GFP chromophore topology help Justin A. Lemkul
Subject: Re: [gmx-users] GFP chromophore topology help Ramachandran G
Subject: Re: [gmx-users] GFP chromophore topology help Gerrit Groenhof
[gmx-users] system is exploding Olga Ivchenko
[gmx-users] system is exploding Baofu Qiao
[gmx-users] system is exploding Olga Ivchenko
[gmx-users] system is exploding Baofu Qiao
[gmx-users] system is exploding T.M.D. Graen
[gmx-users] system is exploding Justin A. Lemkul
[gmx-users] Targeted Energy Minimization Yao Yao
[gmx-users] Targeted Energy Minimization Mark Abraham
[gmx-users] RE: Temperature Fluctuations Nimesh Jain
[gmx-users] RE: Temperature Fluctuations Mark Abraham
[gmx-users] Temporary downtime for git.gromacs.org Wednesday Erik Lindahl
[gmx-users] tfe.gro hengame fallah
[gmx-users] tfe.gro hengame fallah
[gmx-users] tfe.gro ABEL Stephane 175950
[gmx-users] Re: the charmm force field in gromacs Pär Bjelkmar
[gmx-users] The trouble with dihedral restraints: frozen peptide backbones ms
[gmx-users] Thermostat for REMD simulations in implicit solvent César Ávila
[gmx-users] Thermostat for REMD simulations in implicit solvent Per Larsson
[gmx-users] Thermostat for REMD simulations in implicit solvent César Ávila
[gmx-users] Thermostating in NEMD Apoorv Kalyankar
[gmx-users] Thermostating in NEMD David van der Spoel
[gmx-users] Tinker FF parameters vs. GROMACS Timothy E Pegg
[gmx-users] tip3p itp file parameters Sai Pooja
[gmx-users] tip3p itp file parameters Justin A. Lemkul
[gmx-users] tip3p itp file parameters Sai Pooja
[gmx-users] tip3p itp file parameters Mark Abraham
[gmx-users] Too many parameters in itp-file Mikkel Vestergaard
[gmx-users] Too many parameters in itp-file Justin A. Lemkul
[gmx-users] Too many parameters in itp-file Mark Abraham
[gmx-users] Translation motion during MD nahren manuel
[gmx-users] Translation motion during MD Justin A. Lemkul
[gmx-users] Translation motion during MD nahren manuel
[gmx-users] Translation motion during MD Justin A. Lemkul
[gmx-users] trjconv mohsen ramezanpour
[gmx-users] Re: trjconv Vitaly Chaban
[gmx-users] Re: trjconv Justin A. Lemkul
[gmx-users] Re: trjconv mohsen ramezanpour
[gmx-users] Re: trjconv mohsen ramezanpour
[gmx-users] Re: trjconv mohsen ramezanpour
[gmx-users] Re: trjconv mohsen ramezanpour
[gmx-users] Re: trjconv Justin A. Lemkul
[gmx-users] trjconv -pbc/ box/ solvent shahab shariati
[gmx-users] trjconv -pbc/ box/ solvent Justin A. Lemkul
[gmx-users] trjconv -pbc/box /solvent shahab shariati
[gmx-users] trjconv -pbc/box /solvent Justin A. Lemkul
[gmx-users] trjconv -pbc/box /solvent shahab shariati
[gmx-users] trjconv -pbc/box /solvent Justin A. Lemkul
[gmx-users] trjconv, pbc and breaking of multiple peptides ms
[gmx-users] trjconv, pbc and breaking of multiple peptides Justin A. Lemkul
[gmx-users] trjconv, pbc and breaking of multiple peptides ms
[gmx-users] trjconv, pbc and breaking of multiple peptides ms
[gmx-users] trjconv, pbc and breaking of multiple peptides Justin A. Lemkul
[gmx-users] trjconv, pbc and breaking of multiple peptides ms
[gmx-users] trjconv, pbc and breaking of multiple peptides Justin A. Lemkul
[gmx-users] trjconv, pbc and breaking of multiple peptides ms
[gmx-users] Trouble with Gromacs finding the files it needs J. Nathan Scott
[gmx-users] Trouble with Gromacs finding the files it needs Justin A. Lemkul
[gmx-users] Trouble with Gromacs finding the files it needs J. Nathan Scott
[gmx-users] Trouble with Gromacs finding the files it needs Justin A. Lemkul
[gmx-users] Trouble with Gromacs finding the files it needs Rogan Carr
[gmx-users] two problems with gromacs 4.5.3 Sanku M
[gmx-users] two problems with gromacs 4.5.3 Roland Schulz
[gmx-users] umbrella sampling with position restraint Víctor Bahamonde
[gmx-users] umbrella sampling with position restraint chris.neale at utoronto.ca
[gmx-users] unexpexted stop of simulation Hong, Liang
[gmx-users] unexpexted stop of simulation Florian Dommert
[gmx-users] unexpexted stop of simulation Carsten Kutzner
[gmx-users] unexpexted stop of simulation Roland Schulz
[gmx-users] Update: (Problem Solved) -- Job crash: checkpoint file Shi, Chuanyin
[gmx-users] Use an altenative folder for itp files Stephane Abel
[gmx-users] Use an altenative folder for itp files Justin A. Lemkul
[gmx-users] Using Charmm FF with implicit solvent on gromacs César Ávila
[gmx-users] Using Charmm FF with implicit solvent on gromacs Mark Abraham
[gmx-users] Using Charmm FF with implicit solvent on gromacs Per Larsson
[gmx-users] Using mdrun -rerun to get energy values Martin Kamp Jensen
[gmx-users] Using mdrun -rerun to get energy values Krzysztof Mlynarczyk
[gmx-users] Using mdrun -rerun to get energy values Martin Kamp Jensen
[gmx-users] Using mdrun -rerun to get energy values Krzysztof Mlynarczyk
[gmx-users] Using mdrun -rerun to get energy values Mark Abraham
[gmx-users] Using mdrun -rerun to get energy values Martin Kamp Jensen
[gmx-users] VDW radious (Gideon) גדעון לפידות
[gmx-users] VDW radious (Gideon) Justin A. Lemkul
[gmx-users] virtual site error Ting Zhou
[gmx-users] virtual site error Mark Abraham
[gmx-users] water hydration map analysis help babu gokul
[gmx-users] water hydration map analysis help Mark Abraham
[gmx-users] water model purpose? ahmet yıldırım
[gmx-users] water model purpose? Mark Abraham
[gmx-users] water molecules (interfacial) atila petrosian
[gmx-users] water molecules (interfacial) Mark Abraham
[gmx-users] water molecules (interfacial) atila petrosian
[gmx-users] water molecules (interfacial) Justin A. Lemkul
[gmx-users] water molecules (interfacial) atila petrosian
[gmx-users] water molecules (interfacial) Justin A. Lemkul
[gmx-users] water molecules (interfacial) atila petrosian
[gmx-users] water molecules (interfacial) Mark Abraham
[gmx-users] water molecules (interfacial) leila karami
[gmx-users] water molecules (interfacial) Teemu Murtola
[gmx-users] water molecules (interfacial) - IIRC leila karami
[gmx-users] water molecules (interfacial) - IIRC Mark Abraham
[gmx-users] What can we do with gromacs? mustafa bilsel
[gmx-users] What can we do with gromacs? Justin A. Lemkul
[gmx-users] What does "Conserved-En." stands for Jim (Rui) Qiao
[gmx-users] What does "Conserved-En." stands for Michael Shirts
[gmx-users] What does "Conserved-En." stands for Jim (Rui) Qiao
[gmx-users] When will FEP be on GPU? TJ Mustard
[gmx-users] which force file has parameters for creatine md simulations Justin A. Lemkul
[gmx-users] Re: which force file has parameters for creatine md simulations? Justin A. Lemkul
[gmx-users] Re: which force file has parameters for creatine md simulations? Justin A. Lemkul
[gmx-users] which force file has parameters for creatine md simulations Olga Ivchenko
[gmx-users] which force file has parameters for creatine md simulations #ZHAO LINA#
[gmx-users] which force file has parameters for creatine md simulations? Olga Ivchenko
[gmx-users] which force file has parameters for creatine md simulations? Olga Ivchenko
[gmx-users] Re: which force file has parameters for creatine md simulations? Olga Ivchenko
[gmx-users] Re: which force file has parameters for creatine md simulations? Olga Ivchenko
[gmx-users] xtc corrupted during REMD Spitaleri Andrea
[gmx-users] xtc corrupted during REMD Mark Abraham
[gmx-users] xtc corrupted during REMD Roland Schulz
[gmx-users] xtc corrupted during REMD andrea spitaleri
[gmx-users] xtc corrupted during REMD Mark Abraham
[gmx-users] y-axis label in hbang and hbdist.xvg file atila petrosian
[gmx-users] y-axis label in hbang and hbdist.xvg file Justin A. Lemkul
[gmx-users] y-axis label in hbang and hbdist.xvg file atila petrosian
[gmx-users] y-axis label in hbang and hbdist.xvg file Justin A. Lemkul
回复： [gmx-users] How to save the coordinates of all atoms in the 2D-arrays using xdrfile? 英雄不再寂寞

Last message date: Tue Nov 30 23:46:31 CET 2010
Archived on: Thu Nov 14 12:09:46 CET 2013

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