January 2004 Archives by thread

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