April 2002 Archives by thread

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Starting: Mon Apr 1 01:49:21 CEST 2002
Ending: Tue Apr 30 23:38:24 CEST 2002
Messages: 290

[gmx-users] default groups Valentin Gogonea
[gmx-users] EssDyn Sanjeev B.S.
- [gmx-users] EssDyn Anton Feenstra
[gmx-users] EssDyn Sanjeev B.S.
[gmx-users] NMR data from the trajectory Oleg Katchanov
- [gmx-users] NMR data from the trajectory Anton Feenstra
- [gmx-users] NMR data from the trajectory Anton Feenstra
[gmx-users] eigenvalues and number of frames Jose D Faraldo-Gomez
- [gmx-users] eigenvalues and number of frames Anton Feenstra
[gmx-users] subspaces / cov. matrices overlap Jose D Faraldo-Gomez
- [gmx-users] subspaces / cov. matrices overlap Bert de Groot
[gmx-users] shuffling around Christian Kandt
- [gmx-users] visualization Nguyen Hoang Phuong
[gmx-users] shuffling around Christian Kandt
- [gmx-users] shuffling around Anton Feenstra
[gmx-users] Gromacs 3.1.2 Erik Lindahl
[gmx-users] subspaces / cov. matrices overlap Jose D Faraldo-Gomez
- [gmx-users] subspaces / cov. matrices overlap Bert de Groot
[gmx-users] Still force field issues: dihedral angle parameters Marc Baaden
[gmx-users] Still force field issues: dihedral angle parameters Berk Hess
- [gmx-users] Still force field issues: dihedral angle parameters Marc Baaden
[gmx-users] Still force field issues: dihedral angle parameters Berk Hess
- [gmx-users] Still force field issues: dihedral angle parameters Pedro Alexandre de Araujo Gomes Lapido Loureiro
  - [gmx-users] Still force field issues: dihedral angle parameters Pedro Alexandre de Araujo Gomes Lapido Loureiro
[gmx-users] Oh topology .. go away ... Marc Baaden
[gmx-users] fixing backbone atoms Pedro A Reche Gallardo
[gmx-users] genbox and interatomic distances Markus O Kaukonen
- [gmx-users] genbox and interatomic distances Anton Feenstra
[gmx-users] Re: Compaq compiling Bert de Groot
[gmx-users] Re: lipid-monolayer simulation. Anton Feenstra
[gmx-users] Non-bonded parameters in Gromacs Anton Feenstra
[gmx-users] Oh topology .. go away ... Berk Hess
- [gmx-users] Oh topology .. go away ... Marc Baaden
[gmx-users] Re: [gmx-developers] Off-by-one error in pbd2gmx Anton Feenstra
[gmx-users] genbox and interatomic distances Anton Feenstra
[gmx-users] diffusion coefficient Andrei Neamtu
[gmx-users] gmx 3.1 vs 3.0 for new DPPS model David L. Bostick
[gmx-users] Re: Compiling problem Erik Lindahl
[gmx-users] Dummy atoms Sergio Oyama Junior
- [gmx-users] Dummy atoms Anton Feenstra
[gmx-users] Best Lipid parameters... Senthil Kandasamy
[gmx-users] eigenvalues and number of frames Jose D Faraldo-Gomez
- [gmx-users] eigenvalues and number of frames Daan van Aalten
- [gmx-users] eigenvalues and number of frames Bert de Groot
[gmx-users] Some important information about setting up gromacs topologies Marc Baaden
[gmx-users] DPPS/Na in water system David L. Bostick
- [gmx-users] DPPS/Na in water system Erik Lindahl
- [gmx-users] DPPS/Na in water system Marcos Villarreal
[gmx-users] New LJ parameters for CH2/3-OW Pedro Alexandre Lapido Loureiro
[gmx-users] lipid.itp and grompp Peter Tieleman
- [gmx-users] lipid.itp and grompp Erik Lindahl
  - [gmx-users] 3.1 problems still on SP David L. Bostick
    - [gmx-users] 3.1 problems still on SP Erik Lindahl
[gmx-users] Re: lipid.itp and grompp Thad Harroun
- [gmx-users] Re: lipid.itp and grompp Anton Feenstra
- [gmx-users] Re: lipid.itp and grompp Marc Baaden
- [gmx-users] Re: lipid.itp and grompp David van der Spoel
- [gmx-users] Re: lipid.itp and grompp David van der Spoel
[gmx-users] Strange behaviour during energy minimization - gmx 3.1 Marc Baaden
[gmx-users] simulation box questions Rui Qiao
- [gmx-users] simulation box questions David van der Spoel
[gmx-users] Freeze all beyond a sphere Tivadar Orban
- [gmx-users] Freeze all beyond a sphere Erik Lindahl
[gmx-users] New LJ parameters for CH2/3-OW Pedro Alexandre de Araujo Gomes Lapido Loureiro
- [gmx-users] New LJ parameters for CH2/3-OW David van der Spoel
[gmx-users] heme group in protein Maija Lahtela
- [gmx-users] heme group in protein David van der Spoel
  - [gmx-users] heme group in protein Maija Lahtela
    - [gmx-users] heme group in protein David van der Spoel
    - [gmx-users] heme group in protein Michel Fodje
    - [gmx-users] heme group in protein Anton Feenstra
  - [gmx-users] principal components Nguyen Hoang Phuong
[gmx-users] initiating a parallel run Y. U. Sasidhar
- [gmx-users] initiating a parallel run David van der Spoel
[gmx-users] edi files Phil Biggin
[gmx-users] free energy calculations CRISTIAN DANCIULESCU
- [gmx-users] free energy calculations Alessandra Villa
[gmx-users] Positioning ions consistently Lieven Buts
- [gmx-users] Positioning ions consistently Anton Feenstra
  - [gmx-users] Positioning ions consistently David van der Spoel
    - [gmx-users] Positioning ions consistently Anton Feenstra
[gmx-users] OS X compiling woes Kenneth P. Murphy
- [gmx-users] OS X compiling woes Erik Lindahl
  - [gmx-users] OS X compiling woes Erik Lindahl
[gmx-users] OS X compiling woes nicolis at guideo.fr
[gmx-users] OS X compiling woes nicolis at guideo.fr
[gmx-users] A question about partial charges nicolis at guideo.fr
- [gmx-users] A question about partial charges Daan van Aalten
- [gmx-users] A question about partial charges David van der Spoel
[gmx-users] edi files Bert de Groot
- [gmx-users] c-program Nguyen Hoang Phuong
  - [gmx-users] c-program David van der Spoel
  - [gmx-users] c-program Anton Feenstra
- [gmx-users] edi files Anton Feenstra
[gmx-users] lipid.itp and grompp Berk Hess
[gmx-users] Problems double precision Marco Fioroni
[gmx-users] Cannot compile gromacs-localp-3.0.2 Alan Wilter Sousa da Silva
- [gmx-users] Cannot compile gromacs-localp-3.0.2 Erik Lindahl
[gmx-users] Compiling gmx-3.1.2 double prec.: no success Alan Wilter Sousa da Silva
- [gmx-users] Compiling gmx-3.1.2 double prec.: no success Erik Lindahl
[gmx-users] 3.1.3 out, fixing grompp and double Erik Lindahl
[gmx-users] GMX-3.1.3 ../bin and ../lib Alan Wilter Sousa da Silva
- [gmx-users] GMX-3.1.3 ../bin and ../lib Erik Lindahl
[gmx-users] aliphatic hydrocarbon parameters T. Zaraiskaya
- [gmx-users] aliphatic hydrocarbon parameters Erik Lindahl
  - [gmx-users] aliphatic hydrocarbon parameters T. Zaraiskaya
    - [gmx-users] aliphatic hydrocarbon parameters Erik Lindahl
[gmx-users] Re: GLUH residue Anton Feenstra
[gmx-users] Re: GLUH residue Anton Feenstra
- [gmx-users] editconf Nguyen Hoang Phuong
  - [gmx-users] editconf David van der Spoel
    - [gmx-users] editconf Y. U. Sasidhar
    - [gmx-users] editconf Nguyen Hoang Phuong
    - [gmx-users] editconf David van der Spoel
[gmx-users] mpirun on lam Y U Sasidhar
- [gmx-users] mpirun on lam David van der Spoel
  - [gmx-users] mpirun on lam Y U Sasidhar
    - [gmx-users] mpirun on lam David van der Spoel
  - [gmx-users] mpirun on lam again Y U Sasidhar
    - [gmx-users] mpirun on lam again David van der Spoel
  - [gmx-users] mpirun on lam again Erik Lindahl
  - [gmx-users] mpirun on lam again Y. U. Sasidhar
    - [gmx-users] mpirun on lam again Erik Lindahl
[gmx-users] GROMACS on Windows Peter Murray-Rust
- [gmx-users] GROMACS on Windows David van der Spoel
  - [gmx-users] GROMACS and XML Peter Murray-Rust
    - [gmx-users] GROMACS and XML David van der Spoel
    - [gmx-users] GROMACS and XML Anton Feenstra
    - [gmx-users] GROMACS and XML David van der Spoel
    - [gmx-users] GROMACS and XML Peter Murray-Rust
- [gmx-users] GROMACS on Windows Erik Lindahl
[gmx-users] Rotation of CoM: paralel version Mehmet Suezen
- [gmx-users] Rotation of CoM: paralel version David van der Spoel
  - [gmx-users] Rotation of CoM: paralel version Mehmet Suezen
    - [gmx-users] Rotation of CoM: paralel version David van der Spoel
[gmx-users] g_energy floating exception Sergio Oyama Junior
- [gmx-users] g_energy floating exception Erik Lindahl
  - [gmx-users] g_energy floating exception Sergio Oyama Junior
    - [gmx-users] g_energy floating exception Lynne E. Bilston
    - [gmx-users] g_energy floating exception Sergio Oyama Junior
    - [gmx-users] g_energy floating exception Erik Lindahl
    - [gmx-users] g_energy floating exception Sergio Oyama Junior
    - [gmx-users] g_energy floating exception Erik Lindahl
    - [gmx-users] g_energy floating exception Erik Lindahl
[gmx-users] triclinic option Makoto Yoneya
- [gmx-users] triclinic option Erik Lindahl
[gmx-users] triclinic option Erik Lindahl
[gmx-users] T-coupling/freeze groups Rainer Boeckmann
- [gmx-users] T-coupling/freeze groups David van der Spoel
[gmx-users] Re: gmx-users digest, Vol 1 #212 - 15 msgs Lynne Bilston
[gmx-users] T-coupling/freeze groups Berk Hess
[gmx-users] mdrun_mpi Chandrasekar Ramamoorthy
- [gmx-users] mdrun_mpi David van der Spoel
[gmx-users] T-coupling/freeze groups Rainer Boeckmann
- [gmx-users] T-coupling/freeze groups David van der Spoel
  - [gmx-users] T-coupling/freeze groups Rainer Boeckmann
[gmx-users] Phosphotyrosine Satyan Sharma
- [gmx-users] Phosphotyrosine David van der Spoel
  - [gmx-users] Phosphotyrosine Satyan Sharma
    - [gmx-users] Phosphotyrosine David van der Spoel
    - [gmx-users] Phosphotyrosine Satyan Sharma
[gmx-users] Lennard-Jones parameters for manganese Lieven Buts
- [gmx-users] Lennard-Jones parameters for manganese Lieven Buts
[gmx-users] T-coupling/freeze groups Berk Hess
[gmx-users] Re: GROMACS + MOSIX Mikko Huhtala
- [gmx-users] Re: GROMACS + MOSIX Alan Wilter Sousa da Silva
[gmx-users] Re: GROMACS + MOSIX (fwd) David van der Spoel
- [gmx-users] Re: GROMACS + MOSIX (fwd) Alan Wilter Sousa da Silva
  - [gmx-users] Re: GROMACS + MOSIX (fwd) David van der Spoel
    - [gmx-users] Re: GROMACS + MOSIX (fwd) Alan Wilter Sousa da Silva
[gmx-users] Re: phosphotyrosine Graham Smith
- [gmx-users] Re: phosphotyrosine David van der Spoel
[gmx-users] show movie Yuguang Mu
- [gmx-users] show movie Erik Lindahl
[gmx-users] maximum number of molecules Rainer Boeckmann
- [gmx-users] maximum number of molecules David van der Spoel
  - [gmx-users] maximum number of molecules Rainer Boeckmann
    - [gmx-users] maximum number of molecules David van der Spoel
[gmx-users] maximum number of molecules Berk Hess
[gmx-users] maximum number of molecules Berk Hess
[gmx-users] Clarifications to topology stuff in the manual Erik Lindahl
[gmx-users] vacuum with no pdc - problem Mateusz Nowak
- [gmx-users] Re: vacuum with no pdc - problem Mateusz Nowak
[gmx-users] grompp and [ ?types ] David L. Bostick
- [gmx-users] grompp and [ ?types ] David L. Bostick
- [gmx-users] grompp and [ ?types ] Erik Lindahl
  - [gmx-users] grompp and [ ?types ] David L. Bostick
    - [gmx-users] grompp and [ ?types ] Erik Lindahl
    - [gmx-users] grompp and [ ?types ] David L. Bostick
    - [gmx-users] grompp and [ ?types ] David van der Spoel
    - [gmx-users] grompp and [ ?types ] David L. Bostick
  - [gmx-users] grompp and [ ?types ] David L. Bostick
[gmx-users] mpi run on linux cluster of 16 nodes running lam Y U Sasidhar
- [gmx-users] mpi run on linux cluster of 16 nodes running lam David van der Spoel
[gmx-users] g_sorient Berk Hess
- [gmx-users] g_sorient David van der Spoel
[gmx-users] g_sorient Berk Hess
[gmx-users] modeling unnatural amino acids Rich McClellan
- [gmx-users] modeling unnatural amino acids Erik Lindahl
- [gmx-users] modeling unnatural amino acids Daan van Aalten
[gmx-users] g_sorient David van der Spoel
[gmx-users] MM-PBSA / GBSA Marc Baaden
- [gmx-users] simulation box Nguyen Hoang Phuong
  - [gmx-users] simulation box Anton Feenstra
    - [gmx-users] simulation box Nguyen Hoang Phuong
    - [gmx-users] simulation box David van der Spoel
  - [gmx-users] simulation box David van der Spoel
[gmx-users] A problem regarding simulation of SiO2 Lianqing Zheng
- [gmx-users] proper dihedral Nguyen Hoang Phuong
  - [gmx-users] proper dihedral Erik Lindahl
    - [gmx-users] 100 peptides Nguyen Hoang Phuong
    - [gmx-users] 100 peptides David van der Spoel
- [gmx-users] A problem regarding simulation of SiO2 David van der Spoel
[gmx-users] Parallelization of nose-hoover thermostat. Mehmet Suezen
- [gmx-users] Parallelization of nose-hoover thermostat. Erik Lindahl
  - [gmx-users] Parallelization of nose-hoover thermostat. Mehmet Suezen
[gmx-users] xvg file format Nestor Sanchez Fornillo
- [gmx-users] xvg file format Erik Lindahl
[gmx-users] Representative structure of a long simulation Marc Baaden
- [gmx-users] Representative structure of a long simulation David L. Bostick
  - [gmx-users] Representative structure of a long simulation Anton Feenstra
    - [gmx-users] Representative structure of a long simulation Y. U. Sasidhar
[gmx-users] Representative structure of a long simulation Berk Hess
- [gmx-users] Plot data Nguyen Hoang Phuong
  - [gmx-users] Plot data David van der Spoel
    - [gmx-users] Plot data Nguyen Hoang Phuong
    - [gmx-users] Plot data David van der Spoel
- [gmx-users] Representative structure of a long simulation Marc Baaden
  - [gmx-users] Representative structure of a long simulation David L. Bostick
  - [gmx-users] Representative structure of a long simulation David van der Spoel
    - [gmx-users] Constrain, ensemble. Nguyen Hoang Phuong
    - [gmx-users] Constrain, ensemble. David van der Spoel
    - [gmx-users] Constrain, ensemble. Nguyen Hoang Phuong
    - [gmx-users] Constrain, ensemble. David van der Spoel
    - [gmx-users] criterion for good sampling Y. U. Sasidhar
    - [gmx-users] criterion for good sampling David van der Spoel
[gmx-users] error in linux rpm Wolfgang Zocher
- [gmx-users] error in linux rpm Erik Lindahl
  - [gmx-users] error in linux rpm Wolfgang Zocher
    - [gmx-users] error in linux rpm Erik Lindahl
    - [gmx-users] Best Lipid parameters... jozef hritz
    - [gmx-users] Best Lipid parameters... Erik Lindahl
    - [gmx-users] Best Lipid parameters... jozef hritz
    - [gmx-users] Best Lipid parameters... Erik Lindahl
[gmx-users] non-bonded interactions in GROMACS T. Zaraiskaya
- [gmx-users] non-bonded interactions in GROMACS Erik Lindahl
[gmx-users] just being sure about energies from .edr files David L. Bostick
- [gmx-users] just being sure about energies from .edr files David van der Spoel
[gmx-users] Re: phosphotyrosine Graham Smith
- [gmx-users] Re: phosphotyrosine David van der Spoel
[gmx-users] cross angle between two alpha helices YUJIE WU
- [gmx-users] cross angle between two alpha helices David van der Spoel
  - [gmx-users] cross angle between two alpha helices Vincent Lemaitre
[gmx-users] XPM2PS Nestor Sanchez Fornillo
- [gmx-users] XPM2PS David van der Spoel
[gmx-users] xpm2ps II Nestor Sanchez Fornillo
[gmx-users] contact map. santini
- [gmx-users] contact map. David van der Spoel
[gmx-users] Dihedrals calculations ... Xavier Periole
- [gmx-users] Dihedrals calculations ... Nguyen Hoang Phuong
  - [gmx-users] Dihedrals calculations ... Xavier Periole
- [gmx-users] Dihedrals calculations ... David van der Spoel
[gmx-users] short and long range coulomb with pme nicolis at guideo.fr
- [gmx-users] short and long range coulomb with pme Erik Lindahl
  - [gmx-users] short and long range coulomb with pme David van der Spoel
    - [gmx-users] short and long range coulomb with pme Erik Lindahl
[gmx-users] Restrained EM and cut-offs Ivano Eberini
- [gmx-users] Restrained EM and cut-offs David van der Spoel
  - [gmx-users] Restrained EM and cut-offs Ivano Eberini
  - [gmx-users] Again on restrained EM Ivano Eberini
    - [gmx-users] Again on restrained EM David van der Spoel
[gmx-users] free energy calculation Peter Fojan
[gmx-users] short and long range coulomb with pme nicolis at guideo.fr
[gmx-users] short and long range coulomb with pme Jose D Faraldo-Gomez
[gmx-users] Morse potential Nguyen Hoang Phuong
- [gmx-users] Morse potential David van der Spoel
[gmx-users] COM dummy atom and docking Stephen Allen
- [gmx-users] COM dummy atom and docking David van der Spoel
[gmx-users] A question on Berendsen NVT ensemble Lianqing Zheng
- [gmx-users] A question on Berendsen NVT ensemble David van der Spoel
  - [gmx-users] A question on Berendsen NVT ensemble Lianqing Zheng
    - [gmx-users] A question on Berendsen NVT ensemble David van der Spoel
    - [gmx-users] A question on Berendsen NVT ensemble Lianqing Zheng
    - [gmx-users] A question on Berendsen NVT ensemble David van der Spoel
[gmx-users] heterochiral peptides ?? Yuguang Mu
- [gmx-users] parameters of the Morse potential Nguyen Hoang Phuong
  - [gmx-users] parameters of the Morse potential David van der Spoel
- [gmx-users] heterochiral peptides ?? David van der Spoel
[gmx-users] Dihedral multiplicity Xavier Periole
- [gmx-users] Dihedral multiplicity David van der Spoel

Last message date: Tue Apr 30 23:38:24 CEST 2002
Archived on: Thu Nov 14 11:59:34 CET 2013

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