October 2002 Archives by thread

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Starting: Tue Oct 1 00:26:16 CEST 2002
Ending: Thu Oct 31 22:17:19 CET 2002
Messages: 352

[gmx-users] angular momentum. David
[gmx-users] of interest to those who may be updating to 10.2 on OS X Christopher Yip
[gmx-users] ffgmx2 can be used for non-protein molecules Songbai Liu
[gmx-users] Termini for a collection of fractions of protein in one pdb file K.A. Feenstra
[gmx-users] Symmetry Bert de Groot
[gmx-users] ffscan Marco Fioroni
[gmx-users] perturbation of charged groups danciulescu at dwi.rwth-aachen.de
- [gmx-users] perturbation of charged groups K.A. Feenstra
[gmx-users] anisotropic pressure coupling A. und B. Nick
- [gmx-users] anisotropic pressure coupling David van der Spoel
[gmx-users] parallel run crashes only when shuffled Mikko Huhtala
- [gmx-users] parallel run crashes only when shuffled David van der Spoel
[gmx-users] MD at high temperature MOLTENI at unisi.it
- [gmx-users] MD at high temperature K.A. Feenstra
[gmx-users] -llanginfo error in OS X Christopher Yip
[gmx-users] 1-4 interactions T. Zaraiskaya
- [gmx-users] 1-4 interactions David
[gmx-users] minimum size for systems K.A. Feenstra
[gmx-users] compiling problem on alpha-cluster, ld? Fan Hao
- [gmx-users] compiling problem on alpha-cluster, ld? Erik Lindahl
[gmx-users] Re: methanol box of gromacs 刘松柏
[gmx-users] alpha-helix peptides Gusev, Vladimir
- [gmx-users] alpha-helix peptides David van der Spoel
[gmx-users] Problem Building Gromacs on an IBM Power4 AIX 5.1L System Angelo R. Rossi
- [gmx-users] Problem Building Gromacs on an IBM Power4 AIX 5.1L System David van der Spoel
[gmx-users] (no subject) nicolis at guideo.fr
- [gmx-users] (no subject) Erik Lindahl
- [gmx-users] (no subject) K.A. Feenstra
[gmx-users] Re: methanol box of gromacs nicolis at guideo.fr
[gmx-users] parallel run crashes only when shuffled Lynne E. Bilston
- [gmx-users] parallel run crashes only when shuffled Mikko Huhtala
  - [gmx-users] parallel run crashes only when shuffled David van der Spoel
    - [gmx-users] parallel run crashes only when shuffled Mikko Huhtala
    - [gmx-users] parallel run crashes only when shuffled Erik Lindahl
[gmx-users] (no subject) 刘松柏
- [gmx-users] (no subject) David van der Spoel
[gmx-users] generation of proper dihedrals for protons Chris Spronk
- [gmx-users] generation of proper dihedrals for protons K.A. Feenstra
  - [gmx-users] generation of proper dihedrals for protons Chris Spronk
- [gmx-users] generation of proper dihedrals for protons Erik Lindahl
[gmx-users] grompp -r again hugo verli
- [gmx-users] grompp -r again David van der Spoel
  - [gmx-users] grompp -r again hugo verli
    - [gmx-users] grompp -r again David
    - [gmx-users] overall rotation Nguyen Hoang Phuong
    - [gmx-users] overall rotation David
    - [gmx-users] overall rotation K.A. Feenstra
    - [gmx-users] grompp -r again hugo verli
    - [gmx-users] grompp -r again hugo verli
    - [gmx-users] grompp -r again David van der Spoel
    - [gmx-users] grompp -r again hugo verli
[gmx-users] Again: Non-integer charges in tpr-files Marc Saric
- [gmx-users] Again: Non-integer charges in tpr-files Erik Lindahl
  - [gmx-users] Again: Non-integer charges in tpr-files Marc Saric
    - [gmx-users] Again: Non-integer charges in tpr-files Erik Lindahl
    - [gmx-users] Again: Non-integer charges in tpr-files Marc Saric
    - [gmx-users] Again: Non-integer charges in tpr-files K.A. Feenstra
    - [gmx-users] Again: Non-integer charges in tpr-files Erik Lindahl
    - [gmx-users] Again: Non-integer charges in tpr-files K.A. Feenstra
    - [gmx-users] pressure scaling warning giacomo de mori
    - [gmx-users] pressure scaling warning David van der Spoel
    - [gmx-users] Again: Non-integer charges in tpr-files Erik Lindahl
    - [gmx-users] Again: Non-integer charges in tpr-files K.A. Feenstra
[gmx-users] still about the opls methanol box ioannis.nicolis at free.fr
- [gmx-users] still about the opls methanol box David
- [gmx-users] still about the opls methanol box Erik Lindahl
[gmx-users] pme_order and fourierspacing Christoph Freudenberger
- [gmx-users] pme_order and fourierspacing David van der Spoel
  - [gmx-users] pme_order and fourierspacing Erik Lindahl
[gmx-users] compile gmx alpha-cluster Fan Hao
- [gmx-users] compile gmx alpha-cluster Erik Lindahl
[gmx-users] PVM? wnoon at rice.edu
- [gmx-users] PVM? Erik Lindahl
[gmx-users] anisotropic error Chris Shaw
[gmx-users] Sulfonate force field parameters Dallas Warren
[gmx-users] still about the opls methanol box ioannis.nicolis at free.fr
- [gmx-users] still about the opls methanol box Erik Lindahl
[gmx-users] electron density maps kia balali
- [gmx-users] electron density maps David van der Spoel
[gmx-users] Re: Help again!!!!!!! Erik Lindahl
[gmx-users] pdb2gmx - .top missing values Dallas Warren
- [gmx-users] pdb2gmx - .top missing values Erik Lindahl
  - [gmx-users] pdb2gmx - .top missing values Dallas Warren
    - [gmx-users] pdb2gmx - .top missing values K.A. Feenstra
    - [gmx-users] pdb2gmx - .top missing values Dallas Warren
    - [gmx-users] pdb2gmx - .top missing values Dallas Warren
    - [gmx-users] pdb2gmx - .top missing values Dallas Warren
    - [gmx-users] pdb2gmx - .top missing values K.A. Feenstra
    - [gmx-users] pdb2gmx - .top missing values Dallas Warren
    - [gmx-users] pdb2gmx - .top missing values K.A. Feenstra
    - [gmx-users] Improper Dihedrals Dallas Warren
    - [gmx-users] Improper Dihedrals David van der Spoel
    - [gmx-users] Improper Dihedrals Dallas Warren
    - [gmx-users] Improper Dihedrals Erik Lindahl
  - [gmx-users] pdb2gmx - .top missing values K.A. Feenstra
[gmx-users] make error when compiling for the parallel version Tivadar Orban
- [gmx-users] make error when compiling for the parallel version David van der Spoel
  - [gmx-users] make error when compiling for the parallel version Tivadar Orban
    - [gmx-users] make error when compiling for the parallel version David van der Spoel
    - [gmx-users] make error when compiling for the parallel version Erik Lindahl
    - [gmx-users] Accounts Valentin Gogonea
[gmx-users] other ions David L. Bostick
- [gmx-users] other ions Erik Lindahl
[gmx-users] Error related to FFTW with enable-mpi option on Mac10.2 dual cpu (gmx3.1.5) Taeho Kim
- [gmx-users] Error related to FFTW with enable-mpi option on Mac10.2 dual cpu (gmx3.1.5) Erik Lindahl
[gmx-users] g_rms error Anu Tervo
- [gmx-users] g_rms error Erik Lindahl
  - [gmx-users] code to compute Hessian. Nguyen Hoang Phuong
    - [gmx-users] code to compute Hessian. David van der Spoel
[gmx-users] List should be working again now... Erik Lindahl
[gmx-users] chandran Marcos Villarreal
- [gmx-users] chandran K.A. Feenstra
[gmx-users] g_hbond Yuguang Mu
- [gmx-users] g_hbond David van der Spoel
- [gmx-users] g_hbond K.A. Feenstra
[gmx-users] .top files Pedro Alexandre Lapido Loureiro
[gmx-users] .top files Pedro Alexandre Lapido Loureiro
[gmx-users] .top files Pedro Alexandre Lapido Loureiro
[gmx-users] comm-grps Bert de Groot
- [gmx-users] comm-grps Erik Lindahl
[gmx-users] about crashes and seg fault on opls meoh under OSX ioannis.nicolis at free.fr
- [gmx-users] Re: about crashes and seg fault on opls meoh under OSX Erik Lindahl
[gmx-users] fftw tweaking ? Marc Baaden
- [gmx-users] fftw tweaking ? Erik Lindahl
  - [gmx-users] fftw tweaking ? David van der Spoel
[gmx-users] DispCorr A. und B. Nick
- [gmx-users] DispCorr Erik Lindahl
[gmx-users] pdb2gmx - .top missing values Dallas Warren
[gmx-users] grompp warnings... Eva Stefanekova
- [gmx-users] grompp warnings... Dallas Warren
- [gmx-users] grompp warnings... Erik Lindahl
[gmx-users] List problems due to reverse DNS problems... Erik Lindahl
[gmx-users] topology file format C. Klein
- [gmx-users] topology file format David van der Spoel
[gmx-users] unusual density 刘松柏
- [gmx-users] unusual density David van der Spoel
[gmx-users] on dummy atoms 刘松柏
- [gmx-users] on dummy atoms David van der Spoel
  - [gmx-users] on dummy atoms K.A. Feenstra
[gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3m compiler on IRIX 6.5 Markus Meier
- [gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3m compiler on IRIX 6.5 Erik Lindahl
  - [gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3m compiler on IRIX 6.5 Marc Saric
    - [gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3mcompiler on IRIX 6.5 Patrick Ladam
  - [gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3m compiler on IRIX 6.5 Markus Meier
    - [gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3m compiler on IRIX 6.5 Erik Lindahl
    - [gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3m compiler on IRIX 6.5 Markus Meier
    - [gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3m compiler on IRIX 6.5 Erik Lindahl
  - [gmx-users] Problems compiling gromacs-3.1.4 using MIPSpro 7.3.1.3mcompiler on IRIX 6.5 K.A. Feenstra
[gmx-users] How to calculate single point in GROMACS? alexander yakovenko
- [gmx-users] How to calculate single point in GROMACS? David van der Spoel
[gmx-users] .top files Pedro Alexandre Lapido Loureiro
- [gmx-users] .top files Erik Lindahl
[gmx-users] parameterization of N atom type if ffgmx alexander yakovenko
- [gmx-users] parameterization of N atom type if ffgmx Daan Virtual
[gmx-users] Again DispCorr A. und B. Nick
- [gmx-users] Again DispCorr Erik Lindahl
[gmx-users] parameterization of N atom type if ffgmx (continue) alexander yakovenko
- [gmx-users] parameterization of N atom type if ffgmx (continue) Daan Virtual
[gmx-users] DispCorr = EnerPres A. und B. Nick
- [gmx-users] DispCorr = EnerPres David van der Spoel
[gmx-users] COM motion removal problem Filip Ryjácek
- [gmx-users] COM motion removal problem Erik Lindahl
  - [gmx-users] COM motion removal problem Christoph Freudenberger
    - [gmx-users] COM motion removal problem Erik Lindahl
    - [gmx-users] COM motion removal problem Christoph Freudenberger
    - [gmx-users] COM motion removal problem Erik Lindahl
    - [gmx-users] COM motion removal problem Nguyen Hoang Phuong
    - [gmx-users] COM motion removal problem K.A. Feenstra
- [gmx-users] COM motion removal problem K.A. Feenstra
  - [gmx-users] COM motion removal problem K.A. Feenstra
[gmx-users] use of OPLS Valentin Gogonea
- [gmx-users] use of OPLS Erik Lindahl
[gmx-users] Help!!!!! Tanos
- [gmx-users] Help!!!!! Christoph Freudenberger
- [gmx-users] Help!!!!! Nguyen Hoang Phuong
- [gmx-users] Help!!!!! David van der Spoel
[gmx-users] Making holes in lipid bilayers membranes Graham Smith
- [gmx-users] Making holes in lipid bilayers membranes Erik Lindahl
[gmx-users] build up ffgmx2 forcefield topology file 刘松柏
- [gmx-users] build up ffgmx2 forcefield topology file Erik Lindahl
[gmx-users] use of OPLS Graham Smith
[gmx-users] use of OPLS Valentin Gogonea
[gmx-users] use of OPLS 刘松柏
[gmx-users] about the time of rerun xu yechun
- [gmx-users] about the time of rerun David
- [gmx-users] about the time of rerun K.A. Feenstra
Subject: Re: [gmx-users] Help!!!!! Dmitry Kovalsky
- Subject: Re: [gmx-users] Help!!!!! Nguyen Hoang Phuong
  - Subject: Re: [gmx-users] Help!!!!! K.A. Feenstra
- Subject: Re: [gmx-users] Help!!!!! Nguyen Hoang Phuong
[gmx-users] heating Dmitry Kovalsky
- [gmx-users] heating K.A. Feenstra
[gmx-users] parameterization of N atom type if ffgmx (continue) Daan Virtual
- [gmx-users] parameterization of N atom type if ffgmx (continue) alexander yakovenko
[gmx-users] Hydrophobic interactions ehab at biof.ufrj.br
- [gmx-users] Hydrophobic interactions David
[gmx-users] Shake constraint problem Attila Borics
- [gmx-users] Shake constraint problem K.A. Feenstra
[gmx-users] Re: gmx-users digest, Vol 1 #440 - 10 msgs Dmitry Kovalsky
[gmx-users] heating Dmitry Kovalsky
- [gmx-users] heating K.A. Feenstra
[gmx-users] Editing index.ndx, Ener. Groups and rerun Alan Wilter Sousa da Silva
- [gmx-users] Editing index.ndx, Ener. Groups and rerun David
  - [gmx-users] Editing index.ndx, Ener. Groups and rerun Alan Wilter Sousa da Silva
    - [gmx-users] Editing index.ndx, Ener. Groups and rerun Erik Lindahl
- [gmx-users] Editing index.ndx, Ener. Groups and rerun Erik Lindahl
[gmx-users] Re: Problems with cg Erik Lindahl
Enc: Re: [gmx-users] Hydrophobic interactions ehab at biof.ufrj.br
[gmx-users] user-defined proper dihedrals and restraints Chris O'Brien
- [gmx-users] user-defined proper dihedrals and restraints Christoph Freudenberger
- [gmx-users] user-defined proper dihedrals and restraints K.A. Feenstra
[gmx-users] Distance_restraint Arpita Aravind
- [gmx-users] Distance_restraint Chris
[gmx-users] OP113? Outi Maija Salo
[gmx-users] charges Luciane Vieira de Mello
- [gmx-users] charges David van der Spoel
  - [gmx-users] charges Luciane Vieira de Mello
    - [gmx-users] charges David van der Spoel
    - [gmx-users] charges Daan Virtual
    - [gmx-users] charges Daan Virtual
    - [gmx-users] charges Luciane Vieira de Mello
- [gmx-users] charges Alexandre Suman de Araujo
- [gmx-users] charges Daan Virtual
[gmx-users] opls & TIP4P Outi Maija Salo
[gmx-users] Segmentation fault Dmitry Kovalsky
- [gmx-users] Segmentation fault David
  - [gmx-users] least-squares fit Nguyen Hoang Phuong
    - [gmx-users] least-squares fit David
    - [gmx-users] least-squares fit Nguyen Hoang Phuong
[gmx-users] opls & TIP4P Graham Smith
[gmx-users] Re: charges Graham Smith
- [gmx-users] Re: charges Erik Lindahl
  - [gmx-users] Re: charges Christoph Freudenberger
    - [gmx-users] Re: charges David van der Spoel
    - [gmx-users] Re: charges Erik Lindahl
    - [gmx-users] Re: charges hugo verli
    - [gmx-users] Re: charges Marc Baaden
    - [gmx-users] Re: charges Erik Lindahl
  - [gmx-users] Re: charges quantix1 at gmx.de
- [gmx-users] Re: charges Christoph Freudenberger
[gmx-users] Re: user-defined proper dihedrals and restraints Chris O'Brien
- [gmx-users] Re: user-defined proper dihedrals and restraints Christoph Freudenberger
  - [gmx-users] Re: user-defined proper dihedrals and restraints K.A. Feenstra
[gmx-users] how to use afm pulling in any direction Yunqing Liu
[gmx-users] Scaling on dual athlon Stefano Piana
- [gmx-users] Scaling on dual athlon David
  - [gmx-users] Scaling on dual athlon Stefano Piana
[gmx-users] Amber Force field in Gromacs - implicit solvent Stefano Piana
- [gmx-users] Amber Force field in Gromacs - implicit solvent David
  - [gmx-users] Amber Force field in Gromacs - implicit solvent Erik Lindahl
[gmx-users] Segmentation fault Dmitry Kovalsky
- [gmx-users] Segmentation fault David
- [gmx-users] Segmentation fault Erik Lindahl
[gmx-users] Segmentation fault Dmitry Kovalsky
[gmx-users] rdf distances jb370 at cam.ac.uk
- [gmx-users] rdf distances David
[gmx-users] Help me! pqchen at eyou.com
- [gmx-users] Help me! Erik Lindahl
[gmx-users] methanol box Soumendra Rana
[gmx-users] dummy atoms Frank Wennmohs
- [gmx-users] dummy atoms David van der Spoel
  - [gmx-users] dummy atoms Frank Wennmohs
    - [gmx-users] dummy atoms David van der Spoel
    - [gmx-users] dummy atoms Frank Wennmohs
[gmx-users] Re: methanol box (Soumendra Rana) 刘松柏
[gmx-users] Polymer in periodic boundary conditions Ester Chiessi
- [gmx-users] Polymer in periodic boundary conditions K.A. Feenstra
- [gmx-users] Polymer in periodic boundary conditions Erik Lindahl
  - [gmx-users] Polymer in periodic boundary conditions David
    - [gmx-users] Polymer in periodic boundary conditions Erik Lindahl
[gmx-users] workaround for PME coulomb energy David L. Bostick
- [gmx-users] workaround for PME coulomb energy David
[gmx-users] Distance Difference Map Paul Czodrowski
[gmx-users] Coulomb (SR) + Coulomb (LR) problem qiao rui
- [gmx-users] Coulomb (SR) + Coulomb (LR) problem David van der Spoel
  - [gmx-users] Coulomb (SR) + Coulomb (LR) problem qiao rui
[gmx-users] on direction of pull.ppa Xu Yong
[gmx-users] on direction of pull.ppa Justin MacCallum
[gmx-users] CH2-CH2 Dihedral Dallas Warren
[gmx-users] bonds across boundaries Pawel Sikorski
- [gmx-users] bonds across boundaries David van der Spoel
[gmx-users] Problems compiling gromacs 3.1.4 on Solaris 8 Daniel Wetzler
- [gmx-users] Problems compiling gromacs 3.1.4 on Solaris 8 David van der Spoel
- [gmx-users] Problems compiling gromacs 3.1.4 on Solaris 8 K.A. Feenstra
  - [gmx-users] motif David van der Spoel
    - [gmx-users] motif K.A. Feenstra
[gmx-users] mdrun's mpi version error Tivadar Orban
- [gmx-users] mdrun's mpi version error David
  - [gmx-users] mdrun's mpi version error Tivadar Orban
    - [gmx-users] mdrun's mpi version error David
[gmx-users] mdrun's mpi version error Erik Lindahl
[gmx-users] about the error on using rerun xu yechun
- [gmx-users] about the error on using rerun Erik Lindahl
[gmx-users] about the error on using rerun Berk Hess
- [gmx-users] about the error on using rerun Erik Lindahl
  - [gmx-users] about the error on using rerun K.A. Feenstra
[gmx-users] trjconv reference structure (bug?) Mikko Huhtala
- [gmx-users] trjconv reference structure (bug?) Erik Lindahl
- [gmx-users] trjconv reference structure (bug?) Nguyen Hoang Phuong
[gmx-users] AFM-pulling Alicia Lorenzo
[gmx-users] Space Chris Shaw
- [gmx-users] Space David L. Bostick
- [gmx-users] Space Erik Lindahl
- [gmx-users] Space David van der Spoel
[gmx-users] getting gromacs 3.1.4 compiled on freebsd Ken Chase
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] mdrun's mpi version error Taeho Kim
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] grompp on 3.1.4 Xu Yong
- [gmx-users] pull in parallel Frauke Meyer
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] (no subject) gmx-users-admin at gromacs.org
[gmx-users] Insertion of assymetric protein in a lipid bilayer Marc Maderi
- [gmx-users] Insertion of assymetric protein in a lipid bilayer Xavier Periole
[gmx-users] trjconv reference structure (bug?) Mikko Huhtala
[gmx-users] Checking files .xtc .trr .edr Alan Wilter Sousa da Silva
- [gmx-users] Checking files .xtc .trr .edr Xavier Periole
  - [gmx-users] Checking files .xtc .trr .edr Alan Wilter Sousa da Silva
    - [gmx-users] Checking files .xtc .trr .edr Xavier Periole
- [gmx-users] Checking files .xtc .trr .edr Erik Lindahl
  - [gmx-users] Checking files .xtc .trr .edr David
  - [gmx-users] Checking files .xtc .trr .edr Alan Wilter Sousa da Silva
    - [gmx-users] Checking files .xtc .trr .edr Erik Lindahl
[gmx-users] Perplexed about MPI dr.horsfield at physics.org
[gmx-users] lipid.itp with gromacs3.1.4 Xu Yong
[gmx-users] lipid.itp with gromacs3.1.4 Vincent Lemaitre
[gmx-users] Re: Insertion of assymetric protein in a lipid bilayer Graham Smith
[gmx-users] (no subject) zgleo
[gmx-users] shell again Dmitry Kovalsky
- [gmx-users] shell again David van der Spoel
- [gmx-users] shell again Erik Lindahl
[gmx-users] cc: /usr/lib/libsrfftw.so: No such file or directory (but I know is there) Jesús Salgado Benito
- [gmx-users] cc: /usr/lib/libsrfftw.so: No such file or directory (but I know is there) Erik Lindahl
[gmx-users] .top files Pedro Alexandre Lapido Loureiro
- [gmx-users] .top files Erik Lindahl
  - [gmx-users] .top files Pedro Alexandre Lapido Loureiro
    - [gmx-users] .top files Erik Lindahl
    - [gmx-users] .top files Pedro Alexandre Lapido Loureiro
- [gmx-users] .top files Marcos Villarreal
[gmx-users] shell again Dmitry Kovalsky
- [gmx-users] shell again David van der Spoel
[gmx-users] emtol in a water box Tanos
- [gmx-users] emtol in a water box David van der Spoel
[gmx-users] xmgrace Tanos
[gmx-users] FEP in sugar hugo verli

Last message date: Thu Oct 31 22:17:19 CET 2002
Archived on: Thu Nov 14 11:59:46 CET 2013

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