January 2004 Archives by date

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Starting: Thu Jan 1 11:10:01 CET 2004
Ending: Sat Jan 31 18:49:01 CET 2004
Messages: 566

[gmx-users] Pressure coupling type for Biomembrane simulation David van der Spoel
[gmx-users] gromacs3.0.5 static compiling on intel processor F.Hao at chem.rug.nl
[gmx-users] g_rotacf to calculate order parameter S2 Byungchan Kim
[gmx-users] Moment of inertial Ronak Patel
[gmx-users] Moment of inertial David van der Spoel
[gmx-users] g_rotacf to calculate order parameter S2 David van der Spoel
[gmx-users] Inserting small molecule into the solvated system Semen Esilevsky
[gmx-users] error while loading shared libraries: libg2c.so.0 F.Hao at chem.rug.nl
[gmx-users] atom name not match Yu Sun
[gmx-users] error while loading shared libraries: libg2c.so.0 David van der Spoel
[gmx-users] got seg fault gmx at 4ka.mipt.ru
[gmx-users] got seg fault gmx at 4ka.mipt.ru
[gmx-users] got seg fault David
[gmx-users] movie making Itamar Kass
[gmx-users] movie making David
[gmx-users] got seg fault gmx at 4ka.mipt.ru
[gmx-users] G96Angle contribution Sunita Patel
[gmx-users] movie making Ran Friedman
[gmx-users] got seg fault David
[gmx-users] G96Angle contribution David
[gmx-users] atom name not match Anton Feenstra
[gmx-users] Inserting small molecule into the solvated system Anton Feenstra
[gmx-users] Which coulmbtype? Anton Feenstra
[gmx-users] simulation problem whit lincs Anton Feenstra
[gmx-users] Too close water molecules saurabh shakya
[gmx-users] movie making Eric Jakobsson
[gmx-users] movie making Bert de Groot
[gmx-users] movie making Christian Burisch
[gmx-users] Too close water molecules David van der Spoel
[gmx-users] movie making David van der Spoel
[gmx-users] A question on Fatal error: ci = -2147483648.... Hwankyu Lee
[gmx-users] A question on files "step*.pdb". Hwankyu Lee
[gmx-users] Re: Too close water molecules saurabh shakya
[gmx-users] Too close water molecules saurabh shakya
[gmx-users] Enthalpy of vaporization Pedro Alexandre Lapido Loureiro
[gmx-users] movie making Peter C. Lai
[gmx-users] Enthalpy of vaporization David van der Spoel
[gmx-users] A question on Fatal error: ci = -2147483648.... David van der Spoel
[gmx-users] Re: Too close water molecules David van der Spoel
[gmx-users] Unit of the spectral density istvan at kolossvary.hu
[gmx-users] Which coulmbtype? Raj Badhan
[gmx-users] Which coulmbtype? David van der Spoel
[gmx-users] Enthalpy of vaporization Eric Jakobsson
[gmx-users] ngmx Osmany Guirola Cruz
[gmx-users] enthalpy of vaporization II Pedro Alexandre Lapido Loureiro
[gmx-users] how to ask questions on the website? 黄正兴
[gmx-users] A question on files "step*.pdb". Anton Feenstra
[gmx-users] A question on Fatal error: ci = -2147483648.... Anton Feenstra
[gmx-users] Re: NVE problems Anton Feenstra
[gmx-users] It's spinning! Anton Feenstra
[gmx-users] PAUSE/CONTINUE A JOB Anton Feenstra
[gmx-users] very strange directory dependent segmentation faults please HELP! Anton Feenstra
[gmx-users] Windows XP and GROMACS Anton Feenstra
[gmx-users] Potential energy calculation of protein by using g_energy Anton Feenstra
[gmx-users] Inserting small molecule into the solvated system Semen Esilevsky
[gmx-users] ngmx David
[gmx-users] enthalpy of vaporization II David
[gmx-users] how to ask questions on the website? David
[gmx-users] Inserting small molecule into the solvated system David
[gmx-users] Re: Too close water molecules saurabh shakya
[gmx-users] Re: Too close water molecules David
[gmx-users] opls-ua, MM3 Konrad Piwowarczyk
[gmx-users] Re: Too close water molecules saurabh shakya
[gmx-users] Re: Too close water molecules David
[gmx-users] Re: Too close water molecules saurabh shakya
[gmx-users] opteron, 64bit Rainer Boeckmann
[gmx-users] Re: Too close water molecules David
[gmx-users] Re: Too close water molecules saurabh shakya
[gmx-users] Re: NVE problems in gmx-users digest, Vol 1 #1174 istvan at kolossvary.hu
[gmx-users] What is the meaning of this warning? Hua Wong
[gmx-users] What is the meaning of this warning? David
[gmx-users] opteron, 64bit Erik Lindahl
[gmx-users] opteron, 64bit Erik Lindahl
[gmx-users] opteron, 64bit Ilya Chorny
[gmx-users] opteron, 64bit David
[gmx-users] Re: NVE problems in gmx-users digest, Vol 1 #1174 David
[gmx-users] opteron, 64bit David
[gmx-users] afm pull Robert Vacha
[gmx-users] opteron, 64bit Erik Lindahl
[gmx-users] afm pull Frauke Meyer
[gmx-users] help me about GROMACS Huang Zhengxing
[gmx-users] bug in gromacs-3.2.0beta1 grompp Malcolm Gillies
[gmx-users] position restraints and minimizers Malcolm Gillies
[gmx-users] afm pull Robert Vacha
[gmx-users] Which coulmbtype? Anton Feenstra
[gmx-users] [Fwd: help me about GROMACS on Windows] David van der Spoel
[gmx-users] position restraints and minimizers David van der Spoel
[gmx-users] relative values in covariance analysis Ing. Vojtěch Spiwok
[gmx-users] tip5p.gro file Marivi Fernandez-Serra
[gmx-users] enthalpy of vaporization II Pedro Alexandre Lapido Loureiro
[gmx-users] Re: gmx-users digest, Vol 1 #1189 - NVE problems in gmx-users digest, Vol 1 #1174 (David) istvan at kolossvary.hu
[gmx-users] position restraints and minimizers Anton Feenstra
[gmx-users] help me about GROMACS Anton Feenstra
[gmx-users] Re: NVE problems in gmx-users digest, Vol 1 #1174 Anton Feenstra
[gmx-users] ngmx Osmany Guirola Cruz
[gmx-users] ngmx David van der Spoel
[gmx-users] ngmx Osmany Guirola Cruz
[gmx-users] Is there an easy way to disable the choice prompt in g_rmsf? Hua Wong
[gmx-users] Is there an easy way to disable the choice prompt in g_rmsf? Rainer Boeckmann
[gmx-users] Is there an easy way to disable the choice prompt in g_rmsf? Mu Yuguang (Dr)
[gmx-users] ngmx Nuno R. L. Ferreira
[gmx-users] Is there an easy way to disable the choice prompt in g_rmsf? Marc Baaden
[gmx-users] ngmx Osmany Guirola Cruz
[gmx-users] ngmx David van der Spoel
[gmx-users] Is there an easy way to disable the choice prompt in g_rmsf? Berk Hess
[gmx-users] ngmx Nuno R. L. Ferreira
[gmx-users] Re: gmx-users digest, Vol 1 #1190 - NVE problems (Anton) istvan at kolossvary.hu
[gmx-users] cutt offs Ilya Chorny
[gmx-users] cutt offs David
[gmx-users] cutt offs Ilya Chorny
[gmx-users] cutt offs David
[gmx-users] making index file Zhu, Qing
[gmx-users] cutt offs Ilya Chorny
[gmx-users] installation probem on Tru64 supercomputer Wei Fu
[gmx-users] installation probem on Tru64 supercomputer David
[gmx-users] Re: cut offs Michael Shirts
[gmx-users] prodrg Osmany Guirola Cruz
[gmx-users] prodrg David
[gmx-users] prodrg Osmany Guirola Cruz
[gmx-users] Re: gmx-users digest, Vol 1 #1190 - NVE problem istvan at kolossvary.hu
[gmx-users] Re: cut offs Ilya Chorny
[gmx-users] Re: cut offs Ilya Chorny
[gmx-users] Re:installation probem on Tru64 supercomputer Wei Fu
[gmx-users] "Correcting invalid box" Malcolm Gillies
[gmx-users] prodrg David van der Spoel
[gmx-users] Re: gmx-users digest, Vol 1 #1190 - NVE problem David van der Spoel
[gmx-users] Re: cut offs David van der Spoel
[gmx-users] "Correcting invalid box" David van der Spoel
[gmx-users] Re:installation probem on Tru64 supercomputer David van der Spoel
[gmx-users] prodrg Lieven Buts
[gmx-users] Dispersion correction and cutoffs Michael Shirts
[gmx-users] "Correcting invalid box" Berk Hess
[gmx-users] Inserting small molecule into the solvated system Semen Esilevsky
[gmx-users] installation probem on Tru64 supercomputer Mu Yuguang (Dr)
[gmx-users] Request for FAQ christoph.nimptsch at uni-tuebingen.de
[gmx-users] Inserting small molecule into the solvated system Kay Gottschalk
[gmx-users] "Correcting invalid box" Berk Hess
[gmx-users] Request for FAQ Daan van Aalten
[gmx-users] Too close water molecules. saurabh shakya
[gmx-users] Superpositioning small molecules dastmalchi.s at tbzmed.ac.ir
[gmx-users] movie making Marc Lensink
[gmx-users] energia of interaction Mauricio Arenas Salinas
[gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2) Hwankyu Lee
[gmx-users] 3.2.0_beta pull code: bug or feature? Frauke Meyer
[gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2) David
[gmx-users] energia of interaction David
[gmx-users] Writing new tools? Arvid Soederhaell
[gmx-users] Request for FAQ Anton Feenstra
[gmx-users] Superpositioning small molecules Anton Feenstra
[gmx-users] Superpositioning small molecules Anton Feenstra
[gmx-users] Superpositioning small molecules Martina Bertsch, PhD
[gmx-users] Superpositioning small molecules Anu Tervo
[gmx-users] Superpositioning small molecules aldo jongejan
[gmx-users] Superpositioning small molecules dastmalchi.s at tbzmed.ac.ir
[gmx-users] Inserting small molecule into the solvated system Semen Esilevsky
[gmx-users] How about gmx-forum? Semen Esilevsky
[gmx-users] Writing new tools? Gerrit Groenhof
[gmx-users] HELP .....changing charges in the forcefield saurabh shakya
[gmx-users] HELP .....changing charges in the forcefield David van der Spoel
[gmx-users] HELP .....changing charges in the forcefield saurabh shakya
[gmx-users] HELP .....changing charges in the forcefield David van der Spoel
[gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2) Hwankyu Lee
[gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2) Lieven Buts
[gmx-users] Superpositioning small molecules Daan van Aalten
[gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2) David van der Spoel
[gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2) Hwankyu Lee
[gmx-users] Superpositioning small molecules Anton Feenstra
[gmx-users] How about gmx-forum? Anton Feenstra
[gmx-users] How about gmx-forum? David
[gmx-users] Superpositioning small molecules David
[gmx-users] How about gmx-forum? Semen Esilevsky
[gmx-users] How about gmx-forum? David
[gmx-users] How about gmx-forum? Marc Baaden
[gmx-users] VideoMach Derrick Guang Yuh Lee
[gmx-users] what's "inconsistent shifts"? Xu ZhiPing
[gmx-users] order of atoms in pdb-file Mr.Sridhar
[gmx-users] what's "inconsistent shifts"? David
[gmx-users] what's "inconsistent shifts"? Xu ZhiPing
[gmx-users] what's "inconsistent shifts"? David
[gmx-users] what's "inconsistent shifts"? Xu ZhiPing
[gmx-users] what's "inconsistent shifts"? David
[gmx-users] problems with CVS m b
[gmx-users] problems with CVS David
[gmx-users] order of atoms in pdb-file David
[gmx-users] about stochastic dynamics Wei Fu
[gmx-users] questions amay
[gmx-users] questions David van der Spoel
[gmx-users] about stochastic dynamics David van der Spoel
[gmx-users] g_covar 3.2.0 Ing. Vojtěch Spiwok
[gmx-users] mixing NOE data and MD for non-protein compoud Santi Esteban Martin
[gmx-users] energia of interaction Osmany Guirola Cruz
[gmx-users] g_covar 3.2.0 Berk Hess
[gmx-users] mixing NOE data and MD for non-protein compoud David van der Spoel
[gmx-users] mixing NOE data and MD for non-protein compoud Kay Gottschalk
[gmx-users] Multiple Simulations Anton Feenstra
[gmx-users] Multiple Simulations David van der Spoel
[gmx-users] Multiple Simulations Anton Feenstra
[gmx-users] Multiple Simulations David L. Bostick
[gmx-users] Multiple Simulations David
[gmx-users] mdrun on Beowulf cluster Yu Sun (Denis)
[gmx-users] mdrun on Beowulf cluster David
[gmx-users] mdrun on Beowulf cluster Yu Sun (Denis)
[gmx-users] new molecule rtp and itp files? Milton Taidi Sonoda
[gmx-users] more- mdrun on Beowulf cluster Yu Sun (Denis)
[gmx-users] new molecule rtp and itp files? David
[gmx-users] more- mdrun on Beowulf cluster David
[gmx-users] Free energy perturbation enzyme + 5 a.a. Peptide Tivadar Orban
[gmx-users] Free energy perturbation enzyme + 5 a.a. Peptide Tivadar Orban
[gmx-users] more- mdrun on Beowulf cluster Yu Sun (Denis)
[gmx-users] covalent bond between ligand and protein muthu12 at cox.net
[gmx-users] new molecule rtp and itp files? muthu12 at cox.net
[gmx-users] Does afm influence other groups? Robert Vacha
[gmx-users] Problem with using all hydrogen force field Sandeep Somani
[gmx-users] Problem with using all hydrogen force field David van der Spoel
[gmx-users] covalent bond between ligand and protein David van der Spoel
[gmx-users] pH Kia.Balali-Mood at ed.ac.uk
[gmx-users] pH Nguyen Hoang Phuong
[gmx-users] Problem with using all hydrogen force field ssomani
[gmx-users] new molecule rtp and itp files? Milton Taidi Sonoda
[gmx-users] Multiple Simulations Anton Feenstra
[gmx-users] new molecule rtp and itp files? Daan van Aalten
[gmx-users] new molecule rtp and itp files? Alexandre Suman de Araujo
[gmx-users] Fwd: dmso Erik Lindahl
[gmx-users] Multiple Simulations Mu Yuguang (Dr)
[gmx-users] gromacs 3.0 and 3.1 Magdalena Siwko
[gmx-users] anyway to combine tpr? Raj Badhan
[gmx-users] covalent bond between ligand and protein muthu12 at cox.net
[gmx-users] gromacs 3.0 and 3.1 David van der Spoel
[gmx-users] covalent bond between ligand and protein David van der Spoel
[gmx-users] anyway to combine tpr? Uwe Richter
[gmx-users] anyway to combine tpr? Nuno R. L. Ferreira
[gmx-users] restarting simulations Milton Taidi Sonoda
[gmx-users] restarting simulations David
[gmx-users] restarting simulations David
[gmx-users] adding NaCl to water box Madhuri Agashe
[gmx-users] adding NaCl to water box David
[gmx-users] neighbor list Maria Nemirovskaya
[gmx-users] prodrg Yuhua Song
[gmx-users] prodrg David
[gmx-users] Pls unsubscribe me g209 pillai
[gmx-users] Multiple Simulations Anton Feenstra
[gmx-users] anyway to combine tpr? Anton Feenstra
[gmx-users] Fwd: dmso Anton Feenstra
[gmx-users] 'Gromacs Symposium' ? Anton Feenstra
[gmx-users] covalent bond between ligand and protein Anton Feenstra
[gmx-users] pH Anton Feenstra
[gmx-users] Does afm influence other groups? Anton Feenstra
[gmx-users] new molecule rtp and itp files? Anton Feenstra
[gmx-users] Free energy perturbation enzyme + 5 a.a. Peptide Anton Feenstra
[gmx-users] distance between protons Nguyen Hoang Phuong
[gmx-users] 'Gromacs Symposium' ? Erik Lindahl
[gmx-users] 'Gromacs Symposium' ? Kay Gottschalk
[gmx-users] distance between protons David van der Spoel
[gmx-users] 'Gromacs Symposium' ? Senthil Kandasamy
[gmx-users] 'Gromacs Symposium' ? David van der Spoel
[gmx-users] 'Gromacs Symposium' ? Marc Lensink
[gmx-users] Re: dmso F.Hao at chem.rug.nl
[gmx-users] 'Gromacs Symposium' ? Y U Sasidhar
[gmx-users] 'Gromacs Symposium' ? Dastmalchi
[gmx-users] 'Gromacs Symposium' ? David van der Spoel
[gmx-users] 'Gromacs Symposium' ? Peter Fojan
[gmx-users] 'Gromacs Symposium' ? Santi Esteban Martin
[gmx-users] 'Gromacs Symposium' ? TAPO (Thomas Agersten Poulsen)
[gmx-users] 'Gromacs Symposium' ? Nguyen Hoang Phuong
[gmx-users] 'Gromacs Symposium' ? David
[gmx-users] 'Gromacs Symposium' ? Nguyen Hoang Phuong
[gmx-users] strange movement Fan Gao
[gmx-users] strange movement Xavier Periole
[gmx-users] Cesium vdw parameters hernan ahumada
[gmx-users] strange movement David
[gmx-users] Does afm influence other groups? Robert Vacha
[gmx-users] 'Gromacs Symposium' ? Alexandre Suman de Araujo
[gmx-users] 'Gromacs Symposium' ? Nuno R. L. Ferreira
[gmx-users] How to add small molecule in the solvent? Yuhua Song
[gmx-users] 'Gromacs Symposium' ? Ilya Chorny
[gmx-users] How to add small molecule in the solvent? David
[gmx-users] How to add small molecule in the solvent? Yuhua Song
[gmx-users] How to add small molecule in the solvent? David
[gmx-users] protein ligand energy of interaction Osmany Guirola Cruz
[gmx-users] Results will be same for two biomembrane equilibration protocol? Yuhua Song
[gmx-users] Compare NMA on CHARMM and GROMACS 方久豪
[gmx-users] Re: Cesium vdw parameters Ing. Vojtěch Spiwok
[gmx-users] Compare NMA on CHARMM and GROMACS Bert de Groot
[gmx-users] 'Gromacs Symposium' ? Anton Feenstra
[gmx-users] Re: gmx-users digest, Vol 1 #1190 - NVE problem Anton Feenstra
[gmx-users] making index file Anton Feenstra
[gmx-users] Re: gmx-users digest, Vol 1 #1190 - NVE problems (Anton) Anton Feenstra
[gmx-users] tip5p.gro file Anton Feenstra
[gmx-users] neighbor list Anton Feenstra
[gmx-users] 'Gromacs Symposium' ? Itamar Kass
[gmx-users] 'Gromacs Symposium' ? Nguyen Hoang Phuong
[gmx-users] neighbor list m b
[gmx-users] neighbor list Berk Hess
[gmx-users] Re: GROMACS workshop Kia.Balali-Mood at ed.ac.uk
[gmx-users] neighbor list m b
[gmx-users] neighbor list Berk Hess
[gmx-users] gmxdump output Milton Taidi Sonoda
[gmx-users] errors when running gromacs in parallel gianluca santarossa
[gmx-users] using .pdb file from protein data bank Madhuri Agashe
[gmx-users] using .pdb file from protein data bank David
[gmx-users] 'Gromacs Symposium' Topics and Logistics Martina Bertsch, PhD
[gmx-users] PMF via constraint forces and frozen/restrained atoms incompatible ? m b
[gmx-users] NOE restriction for MD using protons with the same chemical shift. Santi Esteban Martin
[gmx-users] NOE restriction for MD using protons with the same chemical shift. David van der Spoel
[gmx-users] simulated annealing! Stud_Psychopharm
[gmx-users] simulated annealing! David van der Spoel
[gmx-users] A question on Fatal error: ci = -2147483648... Peter Zoon
[gmx-users] 'Gromacs Symposium' ? Jay McAliley
[gmx-users] 'Gromacs Symposium' ? McMullen, Roger L
[gmx-users] 'Gromacs Symposium' ? Osmany Guirola Cruz
[gmx-users] did the pull code ever work ? m b
[gmx-users] programming gromacs m b
[gmx-users] programming gromacs David van der Spoel
[gmx-users] request karthik
[gmx-users] No default Proper [Bond, Angle, Dihedral] Arturas
[gmx-users] 'Gromacs Symposium' ? Erik Lindahl
[gmx-users] Phi/Psi Raj Badhan
[gmx-users] No default Proper [Bond, Angle, Dihedral] David
[gmx-users] request David
[gmx-users] Phi/Psi David
[gmx-users] Phi/Psi Raj Badhan
[gmx-users] neighbor list Eric Jakobsson
[gmx-users] request karthik
[gmx-users] request Y U Sasidhar
[gmx-users] request David
[gmx-users] Phi/Psi David
[gmx-users] G_ANGLE/MK_ANGNDX Raj Badhan
[gmx-users] G_ANGLE/MK_ANGNDX David
[gmx-users] How to obtain bond energy of the part of the system ? =?koi8-r?Q?=22?=Alex=?koi8-r?Q?=22=20?=
[gmx-users] How to obtain bond energy of the part of the system ? David
[gmx-users] Simulated Annealing Martina Bertsch, PhD
[gmx-users] Simulated Annealing David van der Spoel
[gmx-users] G_ANGLE/MK_ANGNDX Anton Feenstra
[gmx-users] No default Proper [Bond, Angle, Dihedral] Anton Feenstra
[gmx-users] request Anton Feenstra
[gmx-users] tip5p.gro file David van der Spoel
[gmx-users] No default Proper [Bond, Angle, Dihedral] Arturas
[gmx-users] methanol box Rainer Boeckmann
[gmx-users] Re: Itanium 2 Anton Feenstra
[gmx-users] water in channel Itamar Kass
[gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron) Erik Lindahl
[gmx-users] ACE failure Henrik Rundgren
[gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron) Anton Feenstra
[gmx-users] Re: phi/psi (For Raj) Kia.Balali-Mood at ed.ac.uk
[gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron) Anton Feenstra
[gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron) Erik Lindahl
[gmx-users] Thanks Kia Raj Badhan
[gmx-users] 1-4 non-bonded Nagy, Peter I.
[gmx-users] 1-4 non-bonded David van der Spoel
[gmx-users] 1-4 non-bonded Erik Lindahl
[gmx-users] ACE failure David van der Spoel
[gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron) Michel Cuendet
[gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron) David van der Spoel
[gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron) Erik Lindahl
[gmx-users] dimension Nagy, Peter I.
[gmx-users] water in channel David L. Bostick
[gmx-users] size limit in gromacs? Milan Melichercik
[gmx-users] size limit in gromacs? Oliver Beckstein
[gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron) Michel Cuendet
[gmx-users] size limit in gromacs? David
[gmx-users] water in channel Eric Jakobsson
[gmx-users] water in channel David L. Bostick
[gmx-users] water in channel David van der Spoel
[gmx-users] water in channel Anton Feenstra
[gmx-users] No default Proper [Bond, Angle, Dihedral] Anton Feenstra
[gmx-users] using .pdb file from protein data bank Anton Feenstra
[gmx-users] simulated annealing! Anton Feenstra
[gmx-users] How to add small molecule in the solvent? Anton Feenstra
[gmx-users] protein ligand energy of interaction Anton Feenstra
[gmx-users] neighbor list Anton Feenstra
[gmx-users] water in channel Rainer Boeckmann
[gmx-users] water in channel Bert de Groot
[gmx-users] Simulated Annealing Dr. Christoph Freudenberger
[gmx-users] SIGSEGV SANTINI sebastien
[gmx-users] Problem with topology and gmxdump.... sgaray at fbcb.unl.edu.ar
[gmx-users] water in channel Jocelyne Vreede
[gmx-users] g_sas Madhuri Agashe
[gmx-users] Simulated Annealing Martina Bertsch, PhD
[gmx-users] How to get the all atom topology file for small molecule? Yuhua Song
[gmx-users] How to get the all atom topology file for small molecule? David
[gmx-users] How to get the all atom topology file for smallmolecule? Yuhua Song
[gmx-users] Reasonable for drug molecule using united atom topology? Yuhua Song
[gmx-users] g_sas Dallas Warren
[gmx-users] trr file not found.. Madhuri Agashe
[gmx-users] Problem with pdb2gmx for ATP in PDB file Chng Choon Peng
[gmx-users] trr file not found.. Stud_Psychopharm
[gmx-users] trr file not found.. David van der Spoel
[gmx-users] Problem with topology and gmxdump.... Anton Feenstra
[gmx-users] water in channel Anton Feenstra
[gmx-users] Simulated Annealing Anton Feenstra
[gmx-users] How to get the all atom topology file for smallmolecule? Anton Feenstra
[gmx-users] Simulated Annealing Martina Bertsch, PhD
[gmx-users] Re: Reasonable for drug molecule using united atom topology? Ing. Vojtěch Spiwok
[gmx-users] Slow Heating and Cooling Martina Bertsch, PhD
[gmx-users] FW: Welcome to the "gmx-users" mailing list (Digest mode) Lixian Zhang
[gmx-users] Problem with pdb2gmx for ATP in PDB file Raj Badhan
[gmx-users] size limit in gromacs? Milan Melichercik
[gmx-users] hydrogen bonding within a peptide Kia.Balali-Mood at ed.ac.uk
[gmx-users] ewald,pme + bham potentials gmx at 4ka.mipt.ru
[gmx-users] VAC Lianqing Zheng
[gmx-users] hydrogen bonding within a peptide David
[gmx-users] ewald,pme + bham potentials David
[gmx-users] ewald,pme + bham potentials Lianqing Zheng
[gmx-users] VAC Erik Lindahl
[gmx-users] ewald,pme + bham potentials David
[gmx-users] ewald,pme + bham potentials gmx at 4ka.mipt.ru
[gmx-users] ewald,pme + bham potentials David
[gmx-users] How to get the all atom topology file for smallmolecule? Alexandre Suman de Araujo
[gmx-users] Problem with pdb2gmx for ATP in PDB file Alexandre Suman de Araujo
[gmx-users] ewald,pme + bham potentials gmx at 4ka.mipt.ru
[gmx-users] ewald,pme + bham potentials gmx at 4ka.mipt.ru
[gmx-users] ewald,pme + bham potentials David
[gmx-users] ewald,pme + bham potentials gmx at 4ka.mipt.ru
[gmx-users] ewald,pme + bham potentials Lianqing Zheng
[gmx-users] SD random force Maria Nemirovskaya
[gmx-users] Do I need to add hydrogens? Vivek Raut
[gmx-users] Problem with pdb2gmx for ATP in PDB file Raj Badhan
[gmx-users] Problem with pdb2gmx for ATP in PDB file cpchng at bii-sg.org
[gmx-users] Simulated Annealing Anton Feenstra
[gmx-users] size limit in gromacs? Anton Feenstra
[gmx-users] Re: Reasonable for drug molecule using united atom topology? Anton Feenstra
[gmx-users] SD random force Berk Hess
[gmx-users] size limit in gromacs? Milan Melichercik
[gmx-users] Thanks David Kia.Balali-Mood at ed.ac.uk
[gmx-users] Re2: problem wiht topology and gmxdump... sgaray at fbcb.unl.edu.ar
[gmx-users] who I can measure the interaction energy ? Mauricio Arenas Salinas
[gmx-users] who I can measure the interaction energy ? David
[gmx-users] Do I need to add hydrogens? David
[gmx-users] Re: SD random force Maria Nemirovskaya
[gmx-users] virial due to constraints Maria Nemirovskaya
[gmx-users] Do I need to add hydrogens? Madhuri Agashe
[gmx-users] Exploding/Expanding Box on Different Versions Dallas Warren
[gmx-users] Do I need to add hydrogens? David
[gmx-users] errors depending on (lack of) solvent gianluca santarossa
[gmx-users] How to get the all atom topology file for smallmolecule? Peter Zoon
[gmx-users] Re: SD random force Berk Hess
[gmx-users] Problem with pdb2gmx for ATP in PDB file Anton Feenstra
[gmx-users] hydrogen bonding within a peptide Anton Feenstra
[gmx-users] Do I need to add hydrogens? Anton Feenstra
[gmx-users] Re2: problem wiht topology and gmxdump... Anton Feenstra
[gmx-users] Exploding/Expanding Box on Different Versions Anton Feenstra
[gmx-users] editconf SANTINI sebastien
[gmx-users] editconf David
[gmx-users] Exploding/Expanding Box on Different Versions David
[gmx-users] Gromacs under Windows Cornel, J.
[gmx-users] cutt offs Eric Jakobsson
[gmx-users] restraining to center of geometry? Michael Shirts
[gmx-users] cutt offs Ilya Chorny
[gmx-users] Switching off Hbonds Sandeep Somani
[gmx-users] restraining to center of geometry? Anton Feenstra
[gmx-users] Gromacs under Windows Anton Feenstra
[gmx-users] errors depending on (lack of) solvent Anton Feenstra
[gmx-users] restraining to center of geometry? Dr. Christoph Freudenberger
[gmx-users] How to get the all atom topology file for smallmolecule? Dr. Christoph Freudenberger
[gmx-users] docu for pull-code in gmx-3.2 ? Michael Brunsteiner
[gmx-users] problem with pulling alexander yakovenko
[gmx-users] problem with pulling Michael Brunsteiner
[gmx-users] distance between oxygens of hydroxils in the OPLS Milton Taidi Sonoda
[gmx-users] errors depending on (lack of) solvent gianluca santarossa
[gmx-users] errors depending on (lack of) solvent Erik Lindahl
[gmx-users] Gromacs under Windows Cornel, J.
[gmx-users] exclusions and dummies Dr. Christoph Freudenberger
[gmx-users] distance between oxygens of hydroxils in the OPLS Milton Taidi Sonoda
[gmx-users] errors depending on (lack of) solvent gianluca santarossa
[gmx-users] absent pairs Milton Taidi Sonoda
[gmx-users] terminal proline and OPLSAA charges Huafeng Xu
[gmx-users] terminal proline and OPLSAA charges Marc Ceruso
[gmx-users] Intel Compiler Options on Itanium2 Marc Ceruso
[gmx-users] Intel Compiler Options on Itanium2 Erik Lindahl
[gmx-users] Re: Reasonable for drug molecule using united atom topology? Eric Jakobsson
[gmx-users] VAC Eric Jakobsson
[gmx-users] Hi,allMPI_Finalize Wei Fu
[gmx-users] multi cpu problem Wei Fu
[gmx-users] multi cpu problem, again Wei Fu
[gmx-users] Buckingham potential Stefano Piana
[gmx-users] Switching off Hbonds Anton Feenstra
[gmx-users] problem with pulling Alexander
[gmx-users] Multiple mdp simulations; tinit Martina Bertsch, PhD
[gmx-users] Non-planar phenyl rings and non-linear triple bonds Bamidele Adisa
[gmx-users] VAC Lianqing Zheng
[gmx-users] restraining to center of geometry? David
[gmx-users] Switching off Hbonds David
[gmx-users] distance between oxygens of hydroxils in the OPLS David
[gmx-users] absent pairs David
[gmx-users] errors depending on (lack of) solvent David
[gmx-users] multi cpu problem David
[gmx-users] Buckingham potential David
[gmx-users] Multiple mdp simulations; tinit David
[gmx-users] Gromacs under Windows David
[gmx-users] Non-planar phenyl rings and non-linear triple bonds David
[gmx-users] exclusions and dummies David
[gmx-users] How to determine epsilon and sigma for particle (a group of molecules)? Albert Sun
[gmx-users] cutt offs Eric Jakobsson
[gmx-users] cutt offs David
[gmx-users] Switching off Hbonds Eric Jakobsson
[gmx-users] Gromacs 3.2 released Erik Lindahl
[gmx-users] Exploding/Expanding Box on Different Versions Dallas Warren
[gmx-users] Buckingham potential Stefano Piana
[gmx-users] Non-planar phenyl rings and non-linear triple bonds Anton Feenstra
[gmx-users] Multiple mdp simulations; tinit Anton Feenstra
[gmx-users] multi cpu problem Anton Feenstra
[gmx-users] Gromacs under Windows Anton Feenstra
[gmx-users] errors depending on (lack of) solvent Anton Feenstra
[gmx-users] DMSO Nguyen Hoang Phuong
[gmx-users] errors depending on (lack of) solvent gianluca santarossa
[gmx-users] box size criterion in high temperature and constant pressure Mojtaba Alaei
[gmx-users] hyperthreading aneamtu at iasi.mednet.ro
[gmx-users] hyperthreading Erik Lindahl
[gmx-users] hyperthreading David van der Spoel
[gmx-users] hyperthreading Erik Lindahl
[gmx-users] Re: multi cpu problem (Anton Feenstra) Wei Fu
[gmx-users] Re: multi cpu problem (Anton Feenstra) David
[gmx-users] Re: multi cpu problem (Anton Feenstra) David
[gmx-users] Re: multi cpu problem (Anton Feenstra) David
[gmx-users] box size criterion in high temperature and constant pressure Dallas Warren
[gmx-users] Re: multi cpu problem (Anton Feenstra) Dallas Warren
[gmx-users] trjconv -center -pbc whole ?!? Dallas Warren
[gmx-users] Re: multi cpu problem Wei Fu
[gmx-users] trjconv -center -pbc whole ?!? David van der Spoel
[gmx-users] about GMX 3.2 Alan Wilter Sousa da Silva
[gmx-users] LINCS WARNING again... Luciane Vieira de Mello Rigden
[gmx-users] about GMX 3.2 David van der Spoel
[gmx-users] confusion about rlist continues in 3.2 Michael Brunsteiner
[gmx-users] confusion about rlist continues in 3.2 David van der Spoel
[gmx-users] mdrun_hole problems Arvid Soderhall
[gmx-users] pdb-files - atom number of individual molecules B. Nick
[gmx-users] switch problem Ilya Chorny
[gmx-users] PME/ free_eenrgy=yes Ilya Chorny
[gmx-users] proper dihedrals Milton Taidi Sonoda
[gmx-users] bfactors from rmsf Shrivastava, Indira (NIH/NCI)
[gmx-users] bfactors from rmsf David
[gmx-users] fftw 3.0 Alan Wilter Sousa da Silva
[gmx-users] fftw 3.0 David
[gmx-users] trjconv -center -pbc whole ?!? Dallas Warren
[gmx-users] FF.dat missing in gromacs-3.2.tar.gz ? Kalaszi Adrian
[gmx-users] cis-trans isomerization Martina Bertsch, PhD
[gmx-users] proper dihedrals Anton Feenstra
[gmx-users] pdb-files - atom number of individual molecules Anton Feenstra
[gmx-users] switch problem Anton Feenstra
[gmx-users] Re: multi cpu problem (Anton Feenstra) Anton Feenstra
[gmx-users] hyperthreading Anton Feenstra
[gmx-users] cis-trans isomerization Anton Feenstra
[gmx-users] FF.dat missing in gromacs-3.2.tar.gz ? Anton Feenstra
[gmx-users] hyperthreading David van der Spoel
[gmx-users] FF.dat missing in gromacs-3.2.tar.gz ? Mu Yuguang (Dr)
[gmx-users] FF.dat missing in gromacs-3.2.tar.gz! David van der Spoel
[gmx-users] FF.dat missing in gromacs-3.2.tar.gz ? Anton Feenstra
[gmx-users] PME/ free_eenrgy=yes Michael Brunsteiner
[gmx-users] free energy and tabulated potentials, free energy and Ewald ? Michael Brunsteiner
[gmx-users] free energy contributions Michael Brunsteiner
[gmx-users] free energy contributions David van der Spoel
[gmx-users] proper dihedrals Milton Taidi Sonoda
[gmx-users] LINCS WARNING - please! Luciane Vieira de Mello Rigden
[gmx-users] LINCS WARNING - please! Bert de Groot
[gmx-users] proper dihedrals David van der Spoel
[gmx-users] index file for g_order Milan Melichercik
[gmx-users] PME/ free_eenrgy=yes Ilya Chorny
[gmx-users] free energy contributions Ilya Chorny
[gmx-users] cis-trans isomerization Xavier Periole
[gmx-users] segmentation fault : g_sas Madhuri Agashe
[gmx-users] How to determine epsilon and sigma for particles? Albert Sun
[gmx-users] How to determine epsilon and sigma for particles? David
[gmx-users] segmentation fault : g_sas David
[gmx-users] cpp warnings Alan Wilter Sousa da Silva
[gmx-users] cpp warnings David
[gmx-users] Including pH in Your run... Kamil Tamiola

Last message date: Sat Jan 31 18:49:01 CET 2004
Archived on: Thu Nov 14 12:00:36 CET 2013

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