May 2004 Archives by date

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Starting: Sat May 1 07:16:01 CEST 2004
Ending: Mon May 31 22:05:41 CEST 2004
Messages: 347

[gmx-users] how to create an index file for g_order? Hanning chen
[gmx-users] how to create an index file for g_order? Zhen.Qin at hec.utah.edu
[gmx-users] Grompp error Kamil Tamiola
[gmx-users] pulling code in 3.2.1 Lingling Shen
[gmx-users] Grompp error Dallas Warren
[gmx-users] potential under constrain application gianluca santarossa
[gmx-users] potential under constrain application Erik Lindahl
[gmx-users] treecode again Mu Yuguang (Dr)
[gmx-users] treecode again David
[gmx-users] trn precision Patricia Soto
[gmx-users] trn precision David
[gmx-users] trn precision Patricia Soto
[gmx-users] trn precision David
[gmx-users] Subroutine error herbst at fhi-berlin.mpg.de
[gmx-users] Subroutine error David
[gmx-users] grompp erorr Kamil Tamiola
[gmx-users] question about Polak Ribiere conjugate gradient Hua Wong
[gmx-users] question about Polak Ribiere conjugate gradient David
[gmx-users] question about Polak Ribiere conjugate gradient Alan Wilter Sousa da Silva
[gmx-users] question about Polak Ribiere conjugate gradient Erik Lindahl
[gmx-users] question about Polak Ribiere conjugate gradient Erik Lindahl
[gmx-users] question about Polak Ribiere conjugate gradient Hua Wong
[gmx-users] Problems Henrik Rundgren
[gmx-users] Problems David
[gmx-users] Thioester dichan at ucalgary.ca
[gmx-users] RE: problems Henrik Rundgren
[gmx-users] g_hbond does not work with -hbn option Hanning chen
[gmx-users] g_hbond does not work with -hbn option David
[gmx-users] crystallographic_water neda mirsamadi
[gmx-users] grompp in gmx3.2.1 Linda
[gmx-users] Dummy atom type in OPLS-AA Tivadar Orban
[gmx-users] nve ensemble Linda
[gmx-users] rvdw>rlist for nve simulation Linda
[gmx-users] rvdw>rlist for nve simulation David
[gmx-users] rvdw>rlist for nve simulation Erik Lindahl
[gmx-users] ambconv problems david.evans at ulsop.ac.uk
[gmx-users] crystallographic_water Xavier Periole
[gmx-users] nve ensemble Xavier Periole
[gmx-users] model polymers Marcelo A. Carignano
[gmx-users] REMD sadhna
[gmx-users] REMD Nuno R. L. Ferreira
[gmx-users] Re:rvdw>rlist for nve simulation Linda
[gmx-users] OPLS-AA with TIP4P water, error during energy minimization Sunita Patel
[gmx-users] Re: nve ensemble Linda
[gmx-users] Re: nve ensemble Xavier Periole
[gmx-users] OPLS-AA with TIP4P water, error during energy minimization David
[gmx-users] Re: nve ensemble Linda
[gmx-users] Re: nve ensemble Erik Lindahl
[gmx-users] solvation free energy calculations Craig Swank
[gmx-users] solvation free energy calculations Raghunadha Reddy Burri
[gmx-users] Error herbst at fhi-berlin.mpg.de
[gmx-users] Error Ran Friedman
[gmx-users] multichain peptide simulation Susan Idiula
[gmx-users] pressure coupling for lipid bilayer Shang-Te Danny Hsu
[gmx-users] multichain peptide simulation David van der Spoel
[gmx-users] pressure coupling for lipid bilayer Nuno R. L. Ferreira
[gmx-users] C12 for OW of SPC (Gromos96) Nuno R. L. Ferreira
[gmx-users] solvation free energy calculations Alexandre Suman de Araujo
[gmx-users] make_edi.c error gmx3.2.1 compilation Linda
[gmx-users] solvation free energie calculations Craig Swank
[gmx-users] solvation free energie calculations Craig Swank
[gmx-users] Re:make_edi.c error gmx3.2.1 compilation Linda
[gmx-users] solvation free energie calculations Tivadar Orban
[gmx-users] solvation free energie calculations Tivadar Orban
[gmx-users] Electrostatic and VdW cut off Madhuri Agashe
[gmx-users] solvation free energie calculations Craig Swank
[gmx-users] relaxation time Linda
[gmx-users] relaxation time David
[gmx-users] Electrostatic and VdW cut off David
[gmx-users] potential on non-protein molecules gianluca santarossa
[gmx-users] installation problem ANick at t-online.de
[gmx-users] model polymers Jason DeJoannis
[gmx-users] Re: relaxation time (David) Linda
[gmx-users] Re: relaxation time (David) David
[gmx-users] NVE ensemble speed Linda
[gmx-users] potential on non-protein molecules Dallas Warren
[gmx-users] multichain peptide simulation Susan Idiula
[gmx-users] NVE ensemble speed David van der Spoel
[gmx-users] multichain peptide simulation David van der Spoel
[gmx-users] FEP and excluded atom interactions Nuno Micaelo
[gmx-users] Running Gromacs on IBM Power4 Marc Baaden
[gmx-users] More Power4 stuff .. new error code ! Marc Baaden
[gmx-users] MD stopped Tanos
[gmx-users] More Power4 stuff .. new error code ! Erik Lindahl
[gmx-users] Running Gromacs on IBM Power4 Erik Lindahl
[gmx-users] Mdrun box nan error Nathalie R. Basdevant
[gmx-users] Mdrun box nan error David
[gmx-users] Mdrun box nan error Nathalie R. Basdevant
[gmx-users] Mdrun box nan error David
[gmx-users] Mdrun box nan error Nathalie R. Basdevant
[gmx-users] Mdrun box nan error David
[gmx-users] How to deal with phosphate radicals? Jinzhi Tan
[gmx-users] How to draw a RMSD plot after essential dynamics analysis(EDA) zhang xudong
[gmx-users] How to draw a RMSD plot after essential dynamics analysis(EDA) Erik Lindahl
[gmx-users] Mdrun box nan error Erik Lindahl
[gmx-users] g_chi Marieke van den Bosch
[gmx-users] g_chi David van der Spoel
[gmx-users] Error: C compiler cannot create executables Marcelo de Freitas Lima
[gmx-users] Error: C compiler cannot create executables Erik Lindahl
[gmx-users] two questions on multiple simulations and stochastic dynamics Berk Hess
[gmx-users] xvg files Ruben Martinez Buey
[gmx-users] xvg files David van der Spoel
[gmx-users] xvg files DV
[gmx-users] xvg files Dallas Warren
[gmx-users] Qeustion on use of freeze groups for solid walls Daejoong Kim
[gmx-users] Normal to see volume expansion Jun Qian
[gmx-users] multi chain simulation "김현철"
[gmx-users] Is 1.4 A is a large rms incontrast to 0.33 A ? Erik Lindahl
[gmx-users] Is 1.4 A is a large rms incontrast to 0.33 A ? David van der Spoel
[gmx-users] Normal to see volume expansion David van der Spoel
[gmx-users] Qeustion on use of freeze groups for solid walls David van der Spoel
[gmx-users] Fatal error: Frame contains more atoms than expected David van der Spoel
[gmx-users] Fatal error: Frame contains more atoms than expected SANTINI sebastien
[gmx-users] Fatal error: Frame contains more atoms than expected SANTINI sebastien
[gmx-users] FAD containing protein Andrea Carotti
[gmx-users] Fatal error: Frame contains more atoms than expected David van der Spoel
[gmx-users] Fatal error: Frame contains more atoms than expected SANTINI sebastien
[gmx-users] Fatal error: Frame contains more atoms than expected David van der Spoel
[gmx-users] Fatal error: Frame contains more atoms than expected SANTINI sebastien
[gmx-users] Fatal error: Frame contains more atoms than expected David van der Spoel
[gmx-users] cyclic problems... Henrik Rundgren
[gmx-users] help diba
[gmx-users] about the phosphate radicals Jinzhi Tan
[gmx-users] help David van der Spoel
[gmx-users] Can I run an MD simulation without protein?? Scott Classen
[gmx-users] water density Erik Lindahl
[gmx-users] water density Erik Lindahl
[gmx-users] water density Linda
[gmx-users] Can I run an MD simulation without protein?? David
[gmx-users] Is 1.4 A is a large rms incontrast to 0.33 A ? Sunita Patel
[gmx-users] mdrun problems Scott Classen
[gmx-users] water density David
[gmx-users] mdrun problems David
[gmx-users] help...!!! diba
[gmx-users] help...!!! David van der Spoel
[gmx-users] Re: Water density Wei Fu
[gmx-users] Question about omega torsion Hua Wong
[gmx-users] Question about omega torsion Bert de Groot
[gmx-users] Question about omega torsion Erik Lindahl
[gmx-users] problems with amber force field reading Bruno Pagano
[gmx-users] Clarification! Swetha Vijayakrishan
[gmx-users] g_sgangle not working as expected Scott Classen
[gmx-users] NPT simulation problems nicolas Dinter
[gmx-users] AFM pulling: how to determine the spring constant? Mario Orsi
[gmx-users] g_sgangle not working as expected David van der Spoel
[gmx-users] NPT simulation problems David van der Spoel
[gmx-users] NPT simulation problems Dr. Christoph Freudenberger
[gmx-users] potential on non-protein molecules gianluca santarossa
[gmx-users] improper dihedral description in ARG topology F.Hao at chem.rug.nl
[gmx-users] pairs in OPLS Lars Schaefer
[gmx-users] problem pdb2gmx and dummy gerph at correo.unam.mx
[gmx-users] g_sgangle not working as expected Yiannis
[gmx-users] improper dihedral description in ARG topology David
[gmx-users] potential on non-protein molecules David
[gmx-users] problem pdb2gmx and dummy David
[gmx-users] pairs in OPLS David
[gmx-users] NPT simulation problems nicolas Dinter
[gmx-users] (no subject) コウチ
[gmx-users] NPT simulation problems David van der Spoel
[gmx-users] NPT simulation problems nicolas Dinter
[gmx-users] NPT simulation problems David van der Spoel
[gmx-users] FAD containing protein Andrea Carotti
[gmx-users] Clarification! David van der Spoel
[gmx-users] bfactor smith
[gmx-users] PME, netcharge, implementation, counterions Y U Sasidhar
[gmx-users] PME, netcharge, implementation, counterions David van der Spoel
[gmx-users] PME, netcharge, implementation, counterions Alan Wilter Sousa da Silva
[gmx-users] PME, netcharge, implementation, counterions David van der Spoel
[gmx-users] PME, netcharge, implementation, counterions Oliver Beckstein
[gmx-users] potential on non-protein molecules gianluca santarossa
[gmx-users] bfactor David van der Spoel
[gmx-users] potential on non-protein molecules David van der Spoel
[gmx-users] little bug in g_mindist Yiannis Nicolis
[gmx-users] little bug in g_mindist David van der Spoel
[gmx-users] pull code question Oleg V. Stroganov
[gmx-users] pull code question Berk Hess
[gmx-users] PME, netcharge, implementation, counterions Alan Wilter Sousa da Silva
[gmx-users] g_hbond results is bus error. Itamar Kass
[gmx-users] Shake block error: Ben Roberts
[gmx-users] Shake block error: David van der Spoel
[gmx-users] eneconv / g_energy troubles Pim Schravendijk
[gmx-users] eneconv / g_energy troubles David van der Spoel
[gmx-users] Problems with MD simulations Tanos
[gmx-users] Energy minimizations with gmx3.2 Tanos
[gmx-users] Energy minimizations with gmx3.2 Marc Vogt
[gmx-users] Energy minimizations with gmx3.2 David van der Spoel
[gmx-users] Energy minimizations with gmx3.2 Marc Vogt
[gmx-users] Energy minimizations with gmx3.2 Erik Lindahl
[gmx-users] Energy minimizations with gmx3.2 Kay Gottschalk
[gmx-users] Energy minimizations with gmx3.2 Kay Gottschalk
[gmx-users] Energy minimizations with gmx3.2 Marc Vogt
[gmx-users] Energy minimizations with gmx3.2 Marc Vogt
[gmx-users] Energy minimizations with gmx3.2 David van der Spoel
[gmx-users] Energy minimizations with gmx3.2 Marc Vogt
[gmx-users] Energy minimizations with gmx3.2 Erik Lindahl
[gmx-users] charges in dppc.itp Yulia Smolinsky
[gmx-users] Energy minimizations with gmx3.2 Ran Friedman
[gmx-users] fftw and LAM versions Jon Bernard
[gmx-users] fftw and LAM versions David
[gmx-users] fftw and LAM versions Erik Lindahl
[gmx-users] avg structure smith
[gmx-users] compiling on opteron Pim Schravendijk
[gmx-users] covariance GERMAN PABON
[gmx-users] compiling on opteron David
[gmx-users] compling on opteron Pim Schravendijk
[gmx-users] dmso solvent with opls Lars Schaefer
[gmx-users] change in box-size Derrick Guang Yuh Lee
[gmx-users] Re: gmx-users Digest, Vol 1, Issue 1430 Pim Schravendijk
[gmx-users] Re: gmx-users Digest, Vol 1, Issue 1430 Erik Lindahl
[gmx-users] Benchmarks vs memory bandwidth Mike Sullivan
[gmx-users] Benchmarks vs memory bandwidth (Mike Sullivan) Pim Schravendijk
[gmx-users] change in box-size Dallas Warren
[gmx-users] pdb2gmx error H atoms not found in rtb Database p.keymer at student.qut.edu.au
[gmx-users] PME refs Y U Sasidhar
[gmx-users] pdb2gmx error H atoms not found in rtb Database David van der Spoel
[gmx-users] PRODRG Osmany Guirola Cruz
[gmx-users] PRODRG Peter Zoon
[gmx-users] Fatal error: Frame contains more atoms than expected SANTINI sebastien
[gmx-users] Fatal error: Frame contains more atoms than expected David van der Spoel
[gmx-users] PRODRG Christian Burisch
[gmx-users] PRODRG Peter Zoon
[gmx-users] PRODRG Daan van Aalten
[gmx-users] extracting water molecules from trajectory Kay Gottschalk
[gmx-users] conversion to .gro herbst at fhi-berlin.mpg.de
[gmx-users] extracting water molecules from trajectory David van der Spoel
[gmx-users] Fatal error: Frame contains more atoms than expected SANTINI sebastien
[gmx-users] conversion to .gro Oliver Beckstein
[gmx-users] conversion to .gro Nuno R. L. Ferreira
[gmx-users] extracting water molecules from trajectory Kay Gottschalk
[gmx-users] extracting water molecules from trajectory Berk Hess
[gmx-users] Benchmarks, two questions Pim Schravendijk
[gmx-users] Benchmarks, two questions Erik Lindahl
[gmx-users] Performing a MD with PR Tanos
[gmx-users] Performing a MD with PR Nuno R. L. Ferreira
[gmx-users] EM problem for homology model !! narender
[gmx-users] g_covar and g_anaeig questions Q.Z.
[gmx-users] more questions on g_coar and g_anaeig Q.Z.
[gmx-users] Benchmarks, two questions David
[gmx-users] Fatal error: Frame contains more atoms than expected David
[gmx-users] PRODRG again Osmany Guirola Cruz
[gmx-users] PRODRG again Nuno R. L. Ferreira
[gmx-users] NPT simulation problem nicolas Dinter
[gmx-users] grompp question(caoch) コウチ
[gmx-users] PRODRG again Ruben Martinez Buey
[gmx-users] PRODRG again Ing. Vojtech Spiwok
[gmx-users] covariance gianluca santarossa
[gmx-users] EM problem for homology model !! Kamil Tamiola
[gmx-users] PRODRG again Daan van Aalten
[gmx-users] pairs generation Ghermes Chilov
[gmx-users] pdb2gmx calls segmentation fault with -ff oplsaa and -dummy aromatics Ghermes Chilov
[gmx-users] ewald_util.c, charge and dipole corrections Y U Sasidhar
[gmx-users] ewald_util.c, charge and dipole corrections Y U Sasidhar
[gmx-users] grompp question(caoch) David
[gmx-users] EM problem for homology model !! David
[gmx-users] pairs generation David
[gmx-users] g_hbond results is bus error. David
[gmx-users] pdb2gmx-ff oplsaa and -dummy aromatics David
[gmx-users] ewald_util.c, charge and dipole corrections David
[gmx-users] PRODRG again Osmany Guirola Cruz
[gmx-users] OPLS-AA time step Thomas Stockner
[gmx-users] OPLS-AA time step David
[gmx-users] Energy minimizations with gmx3.2 Alan Wilter Sousa da Silva
[gmx-users] Energy minimizations with gmx3.2 Marc Vogt
[gmx-users] PRODRG again Alan Wilter Sousa da Silva
[gmx-users] Hydrogen Bond in Water SPC by g_hbond Ester Chiessi
[gmx-users] Energy minimizations with gmx3.2 Alan Wilter Sousa da Silva
[gmx-users] Energy minimizations with gmx3.2 Marc Vogt
[gmx-users] Energy minimizations with gmx3.2 Alan Wilter Sousa da Silva
[gmx-users] FEP and excluded atom interactions Nuno Micaelo
[gmx-users] FEP and excluded atom interactions Marc Lensink
[gmx-users] Energy minimizations with gmx3.2 David
[gmx-users] Energy minimizations with gmx3.2 Alan Wilter Sousa da Silva
[gmx-users] Energy minimizations with gmx3.2 Alan Wilter Sousa da Silva
[gmx-users] Energy minimizations with gmx3.2 David
[gmx-users] Energy minimizations with gmx3.2 David
[gmx-users] Energy minimizations with gmx3.2 Alan Wilter Sousa da Silva
[gmx-users] Energy minimizations with gmx3.2 David van der Spoel
[gmx-users] extracting water molecules from trajectory T.A.Wassenaar at chem.rug.nl
[gmx-users] about interaction energy Jinzhi Tan
[gmx-users] [Fwd: PRODRG] David
[gmx-users] Diferences! Henrik Rundgren
[gmx-users] David, pls help me with "pdb2gmx" David
[gmx-users] David, pls help me with "pdb2gmx" David
[gmx-users] Diferences! David
[gmx-users] The force (4.4) in page 50 of manual Albert Sun
[gmx-users] The force (4.4) in page 50 of manual David van der Spoel
[gmx-users] The using both Buckingham and Lennard Jones type potentials Pavan K. Naicker
[gmx-users] David, pls help me with "pdb2gmx" Yinghong
[gmx-users] David, pls help me with "pdb2gmx" Yinghong
[gmx-users] Cluster pb nicolas Dinter
[gmx-users] Cluster pb Dallas Warren
[gmx-users] Cluster pb nicolas Dinter
[gmx-users] David, pls help me with "pdb2gmx" David van der Spoel
[gmx-users] The using both Buckingham and Lennard Jones typepotentials Berk Hess
[gmx-users] Re:differences Henrik Rundgren
[gmx-users] Coulomb interactions (PME) Misha
[gmx-users] David, pls help me with "pdb2gmx" Yinghong
[gmx-users] OPLS question Jee E Rim
[gmx-users] G5 performance tweaks Pascal Mercier
[gmx-users] Cluster pb Dallas Warren
[gmx-users] pls help me with the interaction energy! Jinzhi Tan
[gmx-users] OPLS question David van der Spoel
[gmx-users] Cluster pb David van der Spoel
[gmx-users] pls help me with the interaction energy! David van der Spoel
[gmx-users] OPLS question Lars Schaefer
[gmx-users] Re:differences David van der Spoel
[gmx-users] Lincs warnings Andreas Kukol
[gmx-users] [pairs] section Nuno R. L. Ferreira
[gmx-users] OPLS question Jee E Rim
[gmx-users] OPLS question Jee E Rim
[gmx-users] assembly loops for itanium Y U Sasidhar
[gmx-users] job crash B. Nick
[gmx-users] OPLS question David van der Spoel
[gmx-users] assembly loops for itanium David van der Spoel
[gmx-users] job crash David van der Spoel
[gmx-users] RE: job crashes B. Nick
[gmx-users] RE: job crashes David van der Spoel
[gmx-users] show extrem.pdb from g_anaeig Q.Z.
[gmx-users] [pairs] section David
[gmx-users] show extrem.pdb from g_anaeig David
[gmx-users] Villin Benchmarks Seonah Kim
[gmx-users] coarse grained lipid model Luke Czapla
[gmx-users] coarse grained lipid model Li Dawei
[gmx-users] annealing parameters Ghermes Chilov
[gmx-users] annealing parameters Ghermes Chilov
[gmx-users] Problem concerning topology Heikki Käsnänen
[gmx-users] annealing parameters Ghermes Chilov
[gmx-users] Villin Benchmarks David van der Spoel
[gmx-users] A question when mdrun =?gb2312?B?5bC55L+K?=
[gmx-users] window version of gromacs 3.2.1 Nuno R. L. Ferreira
[gmx-users] RE: job crashes B. Nick
[gmx-users] window version of gromacs 3.2.1 Sunita Patel
[gmx-users] an error message Mu Yuguang (Dr)
[gmx-users] an error message David
[gmx-users] G5 performance tweaks David
[gmx-users] CG lipid model ashish misra
[gmx-users] automatic selections with interactive gmx commands gianluca santarossa
[gmx-users] automatic selections with interactive gmx commands Oliver Beckstein
[gmx-users] automatic selections with interactive gmx commands Ghermes Chilov
[gmx-users] automatic selections with interactive gmx commands gianluca santarossa
[gmx-users] CG lipid model Xavier Periole
[gmx-users] automatic selections with interactive gmx commands David
[gmx-users] automatic selections with interactive gmx commands Marc Lensink
[gmx-users] automatic selections with interactive gmx commands Martin Mucha
[gmx-users] automatic selections with interactive gmx commands David
[gmx-users] Truncated Octahedron Box Seonah Kim
[gmx-users] Truncated Octahedron Box David

Last message date: Mon May 31 22:05:41 CEST 2004
Archived on: Thu Nov 14 12:00:50 CET 2013

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