February 2004 Archives by date

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Starting: Sun Feb 1 12:55:01 CET 2004
Ending: Sun Feb 29 23:08:01 CET 2004
Messages: 452

[gmx-users] (no subject) Sergey
[gmx-users] index file for g_order Dallas Warren
[gmx-users] genion: -pot fails to produce .pdb file Madhuri Agashe
[gmx-users] g_sas : -or, -oa Madhuri Agashe
[gmx-users] Including pH in Your run... Eric Jakobsson
[gmx-users] mdrun help! Ankur
[gmx-users] error message... Björn Windshügel
[gmx-users] mdrun help! Andreas Kukol
[gmx-users] mdrun help! Erik Lindahl
[gmx-users] Re: cpp warnings (David) Alan Wilter Sousa da Silva
[gmx-users] compiler for windows gromacs Michael Brunsteiner
[gmx-users] compiler for windows gromacs Erik Lindahl
[gmx-users] Problem of Gromacs Run on MPICH cluster. PeiQuan Chen
[gmx-users] index file for g_order Milan Melichercik
[gmx-users] about the 3.2 version Pim Schravendijk
[gmx-users] about the 3.2 version Erik Lindahl
[gmx-users] LJ values for a fatty acid McMullen, Roger L
[gmx-users] installation with intel compilers Sergio Modesto Vechi
[gmx-users] installation with intel compilers Erik Lindahl
[gmx-users] installation with intel compilers Erik Lindahl
[gmx-users] Forcefield parameterization Pedro Alexandre Lapido Loureiro
[gmx-users] genion: -pot fails to produce .pdb file Stud_Psychopharm
[gmx-users] could all-atom small molecule work with united atom biomemrane? Yuhua Song
[gmx-users] Re: installation with intel compilers Alan Wilter Sousa da Silva
[gmx-users] Forcefield parameterization Dallas Warren
[gmx-users] fftw 2.1.3 Pim Schravendijk
[gmx-users] mdrun creates pdb files! Madhuri Agashe
[gmx-users] fftw 2.1.3 Erik Lindahl
[gmx-users] LJ values for a fatty acid Eric Jakobsson
[gmx-users] mdrun creates pdb files! T.A.Wassenaar at chem.rug.nl
[gmx-users] regd neglecting short range coulomb Anjan Raghunathan
[gmx-users] Ion in simulation Itamar Kass
[gmx-users] mdrun creates pdb files! Madhuri Agashe
[gmx-users] Ion in simulation Andreas Kukol
[gmx-users] Ion in simulation Ran Friedman
[gmx-users] LJ values for a fatty acid McMullen, Roger L
[gmx-users] energy minimization Madhuri Agashe
[gmx-users] Re: gmx-users digest, Vol 1 #1248 - 7 msgs Jorge Hernanez Fernandez
[gmx-users] energy minimization Erik Lindahl
[gmx-users] installing 3.2 with icc Pim Schravendijk
[gmx-users] installing 3.2 with icc Erik Lindahl
[gmx-users] LJ values for a fatty acid Anton Feenstra
[gmx-users] mdrun creates pdb files! Tsjerk Wassenaar
[gmx-users] Directed MD - Transition Paths in GMX Anthony Ivetac
[gmx-users] Directed MD - Transition Paths in GMX David van der Spoel
[gmx-users] mdrun creates pdb files! Stud_Psychopharm
[gmx-users] A question on LINCS error after significant simulation time around 400ps. Hwankyu Lee
[gmx-users] Electrostatics & LJ params Nuno R. L. Ferreira
[gmx-users] How to turn off charges on a residue? Chng Choon Peng
[gmx-users] Re: gmx-users digest, Vol 1 #1248 - 7 msgs Anton Feenstra
[gmx-users] could all-atom small molecule work with united atom biomemrane? Anton Feenstra
[gmx-users] Re: cpp warnings (David) David van der Spoel
[gmx-users] How to turn off charges on a residue? David van der Spoel
[gmx-users] Electrostatics & LJ params David van der Spoel
[gmx-users] gmx3.2, sgi, irix6.5 Erik Wensink
[gmx-users] gmx3.2, sgi, irix6.5 Erik Lindahl
[gmx-users] Re: Ndx for Enzyme-peptide inhibitor Jorge Hernanez Fernandez
[gmx-users] Native contacts Sunita Patel
[gmx-users] Native contacts David van der Spoel
[gmx-users] new features in 3.2 ? Michael Brunsteiner
[gmx-users] new features in 3.2 ? Erik Lindahl
[gmx-users] eric.germaneau at epfl.ch Eric Germaneau
[gmx-users] compiling gromacs tools Eric Germaneau
[gmx-users] (no subject) Mungikar, Amol Arvind (UMR-Student)
[gmx-users] (no subject) Nuno R. L. Ferreira
[gmx-users] gromacs3.2 instalation in Itanium2 Cluster Wei Fu
[gmx-users] gromacs3.2 instalation in Itanium2 Cluster Chng Choon Peng
[gmx-users] Reorienting trajectories before PCA Chng Choon Peng
[gmx-users] eigenvalue~ F JH
[gmx-users] Re:Reorienting trajectories before PCA Wei Fu
[gmx-users] eigenvalue~ Bert de Groot
[gmx-users] Reorienting trajectories before PCA Bert de Groot
[gmx-users] Reorienting trajectories before PCA Chng Choon Peng
[gmx-users] Linux cluster Luciane Vieira de Mello Rigden
[gmx-users] Linux cluster Luciane Vieira de Mello Rigden
[gmx-users] changes to OPLS-AA FF in 3.2 ? Michael Brunsteiner
[gmx-users] Linux cluster Luciane Vieira de Mello Rigden
[gmx-users] index file for g_order Andrey V Golovin
[gmx-users] changes to OPLS-AA FF in 3.2 ? Alexandre Suman de Araujo
[gmx-users] Linux cluster Alan Wilter Sousa da Silva
[gmx-users] Vacuum simulations Martina Bertsch, PhD
[gmx-users] changes to OPLS-AA FF in 3.2 ? Michael Brunsteiner
[gmx-users] interaction energies & accuracy of PME ... Michael Brunsteiner
[gmx-users] g_rmsf hugo verli
[gmx-users] g_rmsf Xavier Periole
[gmx-users] Setup box dimensions Nuno R. L. Ferreira
[gmx-users] g_rmsf hugo verli
[gmx-users] harmonic repulsive solute-solvent interaction Ilya Chorny
[gmx-users] Setup Box Size John Kerrigan
[gmx-users] a question about g_lie Jerry Song
[gmx-users] a question about g_lie David
[gmx-users] Problem during calculating the PME contribution to linear interaction energy Minghu Song
[gmx-users] Ion in simulation Eric Jakobsson
[gmx-users] LJ values for a fatty acid Eric Jakobsson
[gmx-users] A question on LINCS error after significant simulation time around 400ps. Anton Feenstra
[gmx-users] Directed MD - Transition Paths in GMX Anthony Ivetac
[gmx-users] pdb2gmx splits residues from protein Sergey Pintus
[gmx-users] Directed MD - Transition Paths in GMX Kay Gottschalk
[gmx-users] pdb2gmx splits residues from protein Ghermes Chilov
[gmx-users] Setup Box Size Nuno R. L. Ferreira
[gmx-users] Directed MD - Transition Paths in GMX Ran Friedman
[gmx-users] pdb file format Eric Germaneau
[gmx-users] g_rmsf Xavier Periole
[gmx-users] pdb file format Nuno R. L. Ferreira
[gmx-users] making a artificial layer Shuaib Shahid
[gmx-users] creating a "solid" layer Shuaib Shahid
[gmx-users] making a artificial layer David
[gmx-users] pdb file format Dallas Warren
[gmx-users] creating a "solid" layer Oliver Beckstein
[gmx-users] g_lie Filipe Maia
[gmx-users] parallel run problems--please help Jee Eun Rim
[gmx-users] Web page, change to accept other files? Dallas Warren
[gmx-users] (no subject) Patel Ronak Y
[gmx-users] pdb file format Anton Feenstra
[gmx-users] pdb2gmx splits residues from protein Anton Feenstra
[gmx-users] Vacuum simulations Anton Feenstra
[gmx-users] Setup Box Size Anton Feenstra
[gmx-users] (no subject) David van der Spoel
[gmx-users] Setup Box Size Nuno R. L. Ferreira
[gmx-users] change potential funtions Nguyen Hoang Phuong
[gmx-users] Setup Box Size Nuno R. L. Ferreira
[gmx-users] cg error Sergio Modesto Vechi
[gmx-users] cg error Xavier Periole
[gmx-users] cg error Sergio Modesto Vechi
[gmx-users] cg error Xavier Periole
[gmx-users] change potential funtions Anthony Ivetac
[gmx-users] SD error Wei Fu
[gmx-users] cg error David van der Spoel
[gmx-users] change potential funtions David van der Spoel
[gmx-users] change potential funtions Nguyen Hoang Phuong
[gmx-users] topology prasad
[gmx-users] Compilation problem with 3.2 Ross Nobes
[gmx-users] Compilation problem with 3.2 Erik Lindahl
[gmx-users] change potential funtions Erik Lindahl
[gmx-users] Box spacing John Kerrigan
[gmx-users] how to set the MD parameters? mario orsi
[gmx-users] change potential funtions Nguyen Hoang Phuong
[gmx-users] how to set the MD parameters? Nguyen Hoang Phuong
[gmx-users] install Gromacs with MPI? Wu Xun
[gmx-users] parallel run problems--please help Chng Choon Peng
[gmx-users] install Gromacs with MPI? Chng Choon Peng
[gmx-users] install Gromacs with MPI? Wu Xun
[gmx-users] gmx-users 武雄
[gmx-users] install Gromacs with MPI? Erik Lindahl
[gmx-users] external potential ? Michael Brunsteiner
[gmx-users] install Gromacs with MPI? David van der Spoel
[gmx-users] external potential ? David van der Spoel
[gmx-users] NM and minimisation problems Hua Wong
[gmx-users] Do you know how to install gromacs on SGI? carlocamilloni at infinito.it
[gmx-users] NM and minimisation problems Nguyen Hoang Phuong
[gmx-users] Directed MD - Transition Paths in GMX Anthony Ivetac
[gmx-users] NM and minimisation problems David van der Spoel
[gmx-users] Looking "Advanced" Molecular Dynamics Course Santi Esteban Martin
[gmx-users] bug in editconf Itamar Kass
[gmx-users] can gromacs investigate mechanical properties of a molecule? mario
[gmx-users] install Gromacs with MPI? Wu Xun
[gmx-users] Turn off the electrastatic interaction between 2 energy groups xuhui huang
[gmx-users] install Gromacs with MPI? David van der Spoel
[gmx-users] Turn off the electrastatic interaction between 2 energy groups Uwe Richter
[gmx-users] [ gmx-users ] RE: Vacuum Simulations Martina Bertsch, PhD
[gmx-users] Re: parallel run problems--please help Jee E Rim
[gmx-users] Turn off the electrastatic interaction between 2 energy groups xuhui huang
[gmx-users] artificial layer -------thanks Shuaib Shahid
[gmx-users] install Gromacs with MPI? Wu Xun
[gmx-users] A question on comm_grps option Hwankyu Lee
[gmx-users] RH9.0+LAM7.02+Gromacs3.2 武雄
[gmx-users] solvent box sadhna
[gmx-users] solvent box Stud_Psychopharm
[gmx-users] solvent box Chng Choon Peng
[gmx-users] RH9.0+LAM7.02+Gromacs3.2 David van der Spoel
[gmx-users] solvent box David van der Spoel
[gmx-users] can gromacs investigate mechanical properties of a molecule? Anton Feenstra
[gmx-users] Do you know how to install gromacs on SGI? Anton Feenstra
[gmx-users] NM and minimisation problems Anton Feenstra
[gmx-users] gmx-users Anton Feenstra
[gmx-users] how to set the MD parameters? Anton Feenstra
[gmx-users] g_lie Anton Feenstra
[gmx-users] topology Anton Feenstra
[gmx-users] Setup Box Size Anton Feenstra
[gmx-users] force subroutine. Nguyen Hoang Phuong
[gmx-users] Genconf random displacement Andreas Kukol
[gmx-users] Re: force subroutine Pim Schravendijk
[gmx-users] Re: force subroutine Nguyen Hoang Phuong
[gmx-users] simple benchmark question Pim Schravendijk
[gmx-users] simple benchmark question David
[gmx-users] question about image? Weihua Guo
[gmx-users] question about image? David
[gmx-users] Planar C=C group Coincon Mathieu
[gmx-users] Planar C=C group David
[gmx-users] issues with demo for gromacs-3.2 Maria Nemirovskaya
[gmx-users] parallel runs on SGI 3800? Jee E Rim
[gmx-users] A triclinic box Simon Wang
[gmx-users] Residue problem in DNA Yinghong
[gmx-users] parallel runs on SGI 3800? Dean Johnson
[gmx-users] hbonds(non covalent) contraint Lakshmi Padmavathi
[gmx-users] dopg Lakshmi Padmavathi
[gmx-users] Re: parallel runs on SGI 3800? Jee E Rim
[gmx-users] Ask help about stochastic dynamics at different protonation state Wei Fu
[gmx-users] building on IRIX 6.5 Masao Fujinaga
[gmx-users] Ask help about stochastic dynamics at different protonation state Xavier Periole
[gmx-users] hbonds(non covalent) contraint Martina Bertsch, PhD
[gmx-users] g_lie Tivadar Orban
[gmx-users] dopg Martina Bertsch, PhD
[gmx-users] shell dynamics qiao rui
[gmx-users] shell dynamics David
[gmx-users] shell dynamics qiao rui
[gmx-users] shell dynamics David
[gmx-users] RENUMTOP Martina Bertsch, PhD
[gmx-users] shells and VdW interactions Stefano Piana
[gmx-users] Re:Ask help about stochastic dynamics at different protonation state Wei Fu
[gmx-users] RENUMTOP David
[gmx-users] shells and VdW interactions David
[gmx-users] RENUMTOP Martina Bertsch, PhD
[gmx-users] RENUMTOP David
[gmx-users] Ramachandran Plot Mungikar, Amol Arvind (UMR-Student)
[gmx-users] Ramachandran Plot David
[gmx-users] g_lie David
[gmx-users] Ramachandran Plot Mungikar, Amol Arvind (UMR-Student)
[gmx-users] Ramachandran Plot David
[gmx-users] problems with the outpur for g_sas Madhuri Agashe
[gmx-users] Engery not converge on GROMACS~ F JH
[gmx-users] index.c compilation error in GROMACS3.2 Simon Wang
[gmx-users] double precision and NMA F JH
[gmx-users] Engery not converge on GROMACS~ David
[gmx-users] double precision and NMA David
[gmx-users] Re: Vacuum Simulations Anton Feenstra
[gmx-users] pdb2gmx - gromacs 3.2 Herbert Georg
[gmx-users] wheel! ankur gupta
[gmx-users] pdb2gmx - gromacs 3.2 Peter Zoon
[gmx-users] wheel! Nuno R. L. Ferreira
[gmx-users] wheel! David van der Spoel
[gmx-users] PDB2GMX warnings davide.demiliano at fastwebnet.it
[gmx-users] simulate thiol radical without H Andrea Guelfi
[gmx-users] PDB2GMX warnings Xavier Periole
[gmx-users] PDB2GMX warnings T.A.Wassenaar at chem.rug.nl
[gmx-users] pdb2gmx - gromacs 3.2 Jay Mashl
[gmx-users] editconf ver. 3.2. Tivadar Orban
[gmx-users] editconf ver. 3.2. David
[gmx-users] IONs + PME run problem!! Mungikar, Amol Arvind (UMR-Student)
[gmx-users] pdb2gmx - gromacs 3.2 Erik Lindahl
[gmx-users] IONs + PME run problem!! David
[gmx-users] IONs + PME run problem!! Mungikar, Amol Arvind (UMR-Student)
[gmx-users] simulate thiol radical without H Daan van Aalten
[gmx-users] IONs + PME run problem!! Mungikar, Amol Arvind (UMR-Student)
[gmx-users] Re:pdb2gmx - gromacs 3.2 Wei Fu
[gmx-users] IONs + PME run problem!! David
[gmx-users] Re:pdb2gmx - gromacs 3.2 David
[gmx-users] changes in trjcat? Kay Gottschalk
[gmx-users] Vacuum: still struggling with lig.itp Martina Bertsch, PhD
[gmx-users] IONs + PME run problem!! Michael Brunsteiner
[gmx-users] changes in trjcat? Tsjerk Wassenaar
[gmx-users] Re:pdb2gmx - gromacs 3.2 Tsjerk Wassenaar
[gmx-users] changes in trjcat? Osmair Vital de Oliveira
[gmx-users] changes in trjcat? Stud_Psychopharm
[gmx-users] K+ ions with ffG43a1 and Gr.3.2 Beaurain Francois
[gmx-users] K+ ions with ffG43a1 and Gr.3.2 Xavier Periole
[gmx-users] Help! ankur gupta
[gmx-users] Help! Tsjerk Wassenaar
[gmx-users] GROMACS3.2 index.c compilation error Simon Wang
[gmx-users] changes in trjcat? David van der Spoel
[gmx-users] really need some help with g_sas!! Madhuri Agashe
[gmx-users] Diffusion Coefficient ankur gupta
[gmx-users] tip4p.itp file Tivadar Orban
[gmx-users] tip4p.itp file Tivadar Orban
[gmx-users] really need some help with g_sas!! Mungikar, Amol Arvind (UMR-Student)
[gmx-users] Ligand-protein interaction scoring Douglas Houston
[gmx-users] Vacuum: still struggling with lig.itp Pedro Alexandre Lapido Loureiro
[gmx-users] TIP4P and cg ? Weihua Guo
[gmx-users] Diffusion Coefficient Dallas Warren
[gmx-users] TIP4P and cg ? Erik Lindahl
[gmx-users] Diffusion Coefficient Erik Lindahl
[gmx-users] connecting two atoms with a user-defined potential Michael Shirts
[gmx-users] Ramachandran Plot Anton Feenstra
[gmx-users] Ligand-protein interaction scoring Michael Brunsteiner
[gmx-users] connecting two atoms with a user-defined potential Michael Brunsteiner
[gmx-users] Diffusion Coefficient David van der Spoel
[gmx-users] TIP4P and cg ? David van der Spoel
[gmx-users] to upgrade gmx Raghunadha Reddy Burri
[gmx-users] Re: [gmx-developers] Hexagonal prism David van der Spoel
[gmx-users] Re: Ligand-protein interaction scoring Douglas Houston
[gmx-users] Re: Ligand-protein interaction scoring Michael Brunsteiner
[gmx-users] Dihedral restraints Pratul K. Agarwal
[gmx-users] Dihedral restraints David van der Spoel
[gmx-users] visualization/first solvation shell Osmair Vital de Oliveira
[gmx-users] segmentation fault : g_sas Madhuri Agashe
[gmx-users] visualization/first solvation shell David van der Spoel
[gmx-users] segmentation fault : g_sas David van der Spoel
[gmx-users] visualization/first solvation shell Dallas Warren
[gmx-users] to upgrade gmx Dallas Warren
[gmx-users] Re: [gmx-developers] Hexagonal prism Simon Wang
[gmx-users] editconf Kay Gottschalk
[gmx-users] ic vs gcc : strange results Michel Cuendet
[gmx-users] Re: Ligand-protein interaction scoring Douglas Houston
[gmx-users] Re: [gmx-developers] Hexagonal prism David van der Spoel
[gmx-users] editconf David van der Spoel
[gmx-users] ic vs gcc : strange results Michel Cuendet
[gmx-users] ic vs gcc : strange results Erik Lindahl
[gmx-users] ic vs gcc : strange results Erik Lindahl
[gmx-users] editconf Kay Gottschalk
[gmx-users] editconf Tsjerk Wassenaar
[gmx-users] segmentation fault : g_sas Madhuri Agashe
[gmx-users] editconf Kay Gottschalk
[gmx-users] segmentation fault : g_sas David van der Spoel
[gmx-users] negative pressures! Mungikar, Amol Arvind (UMR-Student)
[gmx-users] Some poblems~ F JH
[gmx-users] ic vs gcc : strange results Michel Cuendet
[gmx-users] Some poblems~ Erik Lindahl
[gmx-users] ic vs gcc : strange results David van der Spoel
[gmx-users] negative pressures! David van der Spoel
[gmx-users] Some poblems~ David van der Spoel
[gmx-users] ic vs gcc : strange results Erik Lindahl
[gmx-users] occupancy Yuhua Song
[gmx-users] Vacuum lig.itp Martina Bertsch, PhD
[gmx-users] Re: Hexagonal prism Simon Wang
[gmx-users] negative pressures! Mungikar, Amol Arvind (UMR-Student)
[gmx-users] occupancy Ghermes Chilov
[gmx-users] About the 3.2 version and conjugate gradient~ F JH
[gmx-users] (no subject) Nguyen Hoang Phuong
[gmx-users] occupancy Daan van Aalten
[gmx-users] no pull Michael Brunsteiner
[gmx-users] About the 3.2 version and conjugate gradient~ Nuno R. L. Ferreira
[gmx-users] Re: Hexagonal prism David
[gmx-users] Help! Ankur
[gmx-users] Help! David
[gmx-users] Re: Hexagonal prism Simon Wang
[gmx-users] Re: gmx-users digest, Vol 1 #1276 - 12 msgs Michael Shirts
[gmx-users] Re: Hexagonal prism David
[gmx-users] T-coupling different atoms in the same molecule? Michael Shirts
[gmx-users] T-coupling different atoms in the same molecule? David
[gmx-users] g_sorient Ilya Chorny
[gmx-users] more g_sorient questions Ilya Chorny
[gmx-users] negative pressures! Eric Jakobsson
[gmx-users] help!!! "can not fix pbc" Wei Fu
[gmx-users] help!!! "can not fix pbc" David
[gmx-users] g_analyze question Ilya Chorny
[gmx-users] g_analyze segmentation fault Ilya Chorny
[gmx-users] Re:help!!! "can not fix pbc" Wei Fu
[gmx-users] Re: help!!! "can not fix pbc" Wei Fu
[gmx-users] Can anybody help me with CHARMM Gabbar Daaku
[gmx-users] Re:help!!! "can not fix pbc" David van der Spoel
[gmx-users] Running the Benchmarks Tranchemontagne, Denis
[gmx-users] g_hbond gromacs 3.2 Ilya Chorny
[gmx-users] g_hbond gromacs 3.2 Ilya Chorny
[gmx-users] g_hbond gromacs 3.2 Ilya Chorny
[gmx-users] g_hbond gromacs 3.2 David
[gmx-users] Running the Benchmarks David
[gmx-users] To overwrite the earilier version~ F JH
[gmx-users] g_hbond gromacs 3.2 Ilya Chorny
[gmx-users] g_hbond gromacs 3.2 David
[gmx-users] protein comes out of the box Lakshmi Padmavathi
[gmx-users] cannot find ff.dat library Mario Orsi
[gmx-users] cannot find ff.dat library Xavier Periole
[gmx-users] cannot find ff.dat library David van der Spoel
[gmx-users] Fatal error: Force field inconsistency: 1-4 interaction Markus O Kaukonen
[gmx-users] Fatal error: Force field inconsistency: 1-4 interaction David van der Spoel
[gmx-users] dihedral angles Milan Melichercik
[gmx-users] itanium2 vs xeon Y U Sasidhar
[gmx-users] mdrun failure plus other questions Chris O'Brien
[gmx-users] surface area to volume ratio Madhuri Agashe
[gmx-users] g_rmsf Tanos
[gmx-users] ksc David van der Spoel
[gmx-users] mdrun failure plus other questions Itamar Kass
[gmx-users] trivial question? Ken Rotondi
[gmx-users] trivial question? Dallas Warren
[gmx-users] protein comes out of the box Dallas Warren
[gmx-users] pull code in 3.2 Douglas Ridgway
[gmx-users] gromacs is .doc format?? Vivek Raut
[gmx-users] negative pressures! Mungikar, Amol Arvind (UMR-Student)
[gmx-users] (no subject) Mungikar, Amol Arvind (UMR-Student)
[gmx-users] (no subject) Kay Gottschalk
[gmx-users] gromacs is .doc format?? Andrea Carotti
[gmx-users] gromacs is .doc format?? David
[gmx-users] Re: itanium2 vs xeon Michel Cuendet
[gmx-users] finding charges and radii Shuaib Shahid
[gmx-users] trjconv Lakshmi Padmavathi
[gmx-users] trjconv Lakshmi Padmavathi
[gmx-users] Re: finding charges and radii (Shuaib Shahid) Kia.Balali-Mood at ed.ac.uk
[gmx-users] Fatal error: Force field inconsistency: 1-4 interaction (fwd) Markus O Kaukonen
[gmx-users] Re: dihedral angles Luca Mollica
[gmx-users] pull code in 3.2 Berk Hess
[gmx-users] continuing crashed run in parallel Kay Gottschalk
[gmx-users] continuing crashed run in parallel David
[gmx-users] continuing crashed run in parallel Kay Gottschalk
[gmx-users] continuing crashed run in parallel David
[gmx-users] trans fraction of dihedral angles Milan Melichercik
[gmx-users] trans fraction of dihedral angles David
[gmx-users] trans fraction of dihedral angles Milan Melichercik
[gmx-users] Re: itanium2 vs xeon Erik Lindahl
[gmx-users] g_rotacf Ilya Chorny
[gmx-users] implicit water model in SD Linda
[gmx-users] GROMOS (ffG43a2) dihedral potentials McMullen, Roger L
[gmx-users] seg fault with distance restraints - problem in graph Michael Shirts
[gmx-users] GROMOS (ffG43a2) dihedral potentials Dallas Warren
[gmx-users] trjconv Dallas Warren
[gmx-users] Problems compiling GROMACS on IBM SP2 Nair, Sankar
[gmx-users] g_rotacf David
[gmx-users] Re: seg fault with distance restraints - problem in graph Michael Shirts
[gmx-users] seg fault with distance restraints - problem in graph David
[gmx-users] g_rotacf Ilya Chorny
[gmx-users] g_rotacf David van der Spoel
[gmx-users] gromacs file to pqr Andrea Carotti
[gmx-users] seg fault with distance restraints - problem in graph Berk Hess
[gmx-users] For those using gromacs on mac OSX with mpi Yiannis Nicolis
[gmx-users] gromacs file to pqr aldo jongejan
[gmx-users] Charge calcn Mungikar, Amol Arvind (UMR-Student)
[gmx-users] Errors while running gmxdemo Marcelo Nollmann
[gmx-users] GROMACS parallel on multiple nodes - ERROR Peter Spijker
[gmx-users] SMP vs Infiniband Tranchemontagne, Denis
[gmx-users] Platform-specific differences in grompp's .tpr output Danny Ngo
[gmx-users] GROMACS parallel on multiple nodes - ERROR David
[gmx-users] SMP vs Infiniband Mostyn Lewis
[gmx-users] Platform-specific differences in grompp's .tpr output David
[gmx-users] SMP vs Infiniband David
[gmx-users] Exploding/Expanding Box on Different Versions Dallas Warren
[gmx-users] g_rotacf Ilya Chorny
[gmx-users] g_rotacf David
[gmx-users] comparison Mungikar, Amol Arvind (UMR-Student)
[gmx-users] comparison David van der Spoel
[gmx-users] Re: seg fault with restraints Michael Shirts
[gmx-users] trjorder Problem!! ankur gupta
[gmx-users] trjorder Problem!! Xavier Periole
[gmx-users] trjorder Problem!! Osmair Vital de Oliveira
[gmx-users] Re: For those using gromacs on mac OSX with mpi Pim Schravendijk
[gmx-users] a question for generating a *.top file using pdb2gmx Zhen Qin
[gmx-users] a question for generating a *.top file using pdb2gmx Daan van Aalten
[gmx-users] a question for generating a *.top file using pdb2gmx Zhen Qin
[gmx-users] error (full of nan) Herbert Georg
[gmx-users] Xeon 3.2 vs 3.06 Justin MacCallum
[gmx-users] a question for generating a *.top file using pdb2gmx David
[gmx-users] error (full of nan) David
[gmx-users] Xeon 3.2 vs 3.06 David
[gmx-users] Dihedral restraint Pratul K. Agarwal
[gmx-users] error (full of nan) Herbert Georg
[gmx-users] installing gromacs on a standalone windows pc Shuaib Shahid
[gmx-users] a question for generating a *.top file using pdb2gmx Zhen Qin
[gmx-users] error (full of nan) David
[gmx-users] a question for generating a *.top file using pdb2gmx David
[gmx-users] Problem with Simulated Annealing Gaurav Porwal
[gmx-users] error (full of nan) Herbert Georg
[gmx-users] error (full of nan) Oliver Beckstein
[gmx-users] temperature coupling Herbert Georg
[gmx-users] Re: For those using gromacs on mac OSX with mpi Yiannis Nicolis
[gmx-users] error (full of nan) David
[gmx-users] configuring gromacs on a standalone windows pc Shuaib Shahid
[gmx-users] handedness of helical bundles sadhna
[gmx-users] Segmentation fault!!] ankur gupta
[gmx-users] handedness of helical bundles David van der Spoel
[gmx-users] Segmentation fault!!] David van der Spoel
[gmx-users] Which coulmbtype? David van der Spoel
[gmx-users] Too close water molecules David van der Spoel
[gmx-users] movie making David van der Spoel
[gmx-users] Re: Please guide!! David

Last message date: Sun Feb 29 23:08:01 CET 2004
Archived on: Thu Nov 14 12:00:40 CET 2013

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