April 2003 Archives by subject

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Starting: Tue Apr 1 02:53:00 CEST 2003
Ending: Wed Apr 30 22:12:01 CEST 2003
Messages: 356

[gmx-users] "constraints:none" segmentation fault Giorgos Karvounis
[gmx-users] "constraints:none" segmentation fault David van der Spoel
[gmx-users] "constraints:none" segmentation fault David van der Spoel
[gmx-users] (no subject) PeiQuan Chen
[gmx-users] (no subject) Zhili Zuo
[gmx-users] (no subject) Zhili Zuo
[gmx-users] (no subject) David van der Spoel
[gmx-users] (no subject) PeiQuan Chen
[gmx-users] (no subject) Christoph Freudenberger
[gmx-users] (no subject) PeiQuan Chen
[gmx-users] (no subject) Virtual Daan
[gmx-users] [Fwd: Glucose top] David
[gmx-users] A problem about the format of the trajectory files ? yong pei
[gmx-users] A problem about the format of the trajectory files ? yong pei
[gmx-users] A problem about the format of the trajectory files ? Erik Lindahl
[gmx-users] about g_hbond Alan Wilter Sousa da Silva
[gmx-users] about g_hbond Alan Wilter Sousa da Silva
[gmx-users] about g_hbond Anton Feenstra
[gmx-users] All atom FF to united atom FF Dallas Warren
[gmx-users] All atom FF to united atom FF Erik Lindahl
[gmx-users] Arithmetic exception: tabscale=0 (again) Lianqing Zheng
[gmx-users] Arithmetic exception: tabscale=0 (again) David
[gmx-users] big file? SANTINI sebastien
[gmx-users] by the way Sergio Manzetti
[gmx-users] CCl4 Box Question!!!! PeiQuan Chen
[gmx-users] changing dihedral angles in a pdb file Y U Sasidhar
[gmx-users] changing dihedral angles in a pdb file Christoph Freudenberger
[gmx-users] changing dihedral angles in a pdb file Yuguang Mu
[gmx-users] changing dihedral angles in a pdb file K.A. Feenstra
[gmx-users] Chloride parameters in ffgmx hugo verli
[gmx-users] Chloride parameters in ffgmx hugo verli
[gmx-users] Chloride parameters in ffgmx Anton Feenstra
[gmx-users] Chloride parameters in ffgmx David van der Spoel
[gmx-users] Chloride parameters in ffgmx hugo verli
[gmx-users] Chloride parameters in ffgmx David van der Spoel
[gmx-users] Chloride parameters in ffgmx hugo verli
[gmx-users] Chloride parameters in ffgmx David van der Spoel
[gmx-users] Chloride parameters in ffgmx hugo verli
[gmx-users] Chloride parameters in ffgmx David van der Spoel
[gmx-users] christoph.freudenberger help me please! PeiQuan Chen
[gmx-users] christoph.freudenberger help me please! Christoph Freudenberger
[gmx-users] com motion Mustafa Toprakçý
[gmx-users] com motion David van der Spoel
[gmx-users] com motion Mustafa Toprakçý
[gmx-users] com motion Mustafa Toprakçý
[gmx-users] com motion David van der Spoel
[gmx-users] com motion Mustafa Toprakçý
[gmx-users] com motion David van der Spoel
[gmx-users] com motion Mustafa Toprakçý
[gmx-users] com motion David van der Spoel
[gmx-users] com motion Christoph Freudenberger
[gmx-users] com motion Mustafa Toprakçý
[gmx-users] com motion Anton Feenstra
[gmx-users] com motion Mustafa Toprakçý
[gmx-users] com motion Anton Feenstra
[gmx-users] com motion Mustafa Toprakçý
[gmx-users] compiling error on Mac OSX version 10.2.4 Marc De Maeyer
[gmx-users] compiling error on Mac OSX version 10.2.4 Itamar Kass
[gmx-users] compiling error on Mac OSX version 10.2.4 Erik Lindahl
[gmx-users] Concatenating the trajectories and visualizing in VMD David van der Spoel
[gmx-users] Concatenating the trajectories and visualizing in VMD Sunita Patel
[gmx-users] Distance Restraints Andrea Hombrecher
[gmx-users] dynamic indexing Christoph Freudenberger
[gmx-users] dynamic indexing Anton Feenstra
[gmx-users] dynamic indexing Christoph Freudenberger
[gmx-users] dynamic indexing Anton Feenstra
[gmx-users] Dynamics with positions restrained Tanos C. C. França
[gmx-users] Dynamics with positions restrained David
[gmx-users] electric potential and electric field in 3d grid ? Markus O Kaukonen
[gmx-users] electric potential and electric field in 3d grid ? Gerrit Groenhof
[gmx-users] Energy minimization by Conjugate Gradient Method! Mr.Sridhar
[gmx-users] Energy minimization by Conjugate Gradient Method! David
[gmx-users] erfc Lianqing Zheng
[gmx-users] erfc Erik Lindahl
[gmx-users] Re: ewald David
[gmx-users] Ewald summation: segmentation fault! Vincent Ballenegger
[gmx-users] Ewald summation: segmentation fault! Bert de Groot
[gmx-users] Ewald summation: segmentation fault! Alexandre Suman de Araujo
[gmx-users] Ewald summation: segmentation fault! Vincent Ballenegger
[gmx-users] Ewald summation: segmentation fault! David
[gmx-users] Ewald summation: segmentation fault! Vincent Ballenegger
[gmx-users] ffoplsaa.atp Nguyen Hoang Phuong
[gmx-users] ffoplsaa.atp David van der Spoel
[gmx-users] ffoplsaa.atp Nguyen Hoang Phuong
[gmx-users] ffoplsaa.atp David van der Spoel
[gmx-users] ffoplsaa.atp Anton Feenstra
[gmx-users] file too big? SANTINI sebastien
[gmx-users] file too big? Gerrit Groenhof
[gmx-users] file too big? K.A. Feenstra
[gmx-users] file too big? David
[gmx-users] file too big? Anton Feenstra
[gmx-users] file too big? David van der Spoel
[gmx-users] file too big? Francesco Tordini
[gmx-users] file too big? aldo jongejan
[gmx-users] file too big? SANTINI sebastien
[gmx-users] file too big? David van der Spoel
[gmx-users] file too big? DaJustice1 at aol.com
[gmx-users] file too big? Francesco Tordini
[gmx-users] file too big? David van der Spoel
[gmx-users] fixing edge atoms of a protein with g_sas? Markus O Kaukonen
[gmx-users] Re: format muthu12
[gmx-users] Fwd: lipid parameter for phosphatidyl-glycerol David J. Goodyear
[gmx-users] g_chi quantix1 at gmx.de
[gmx-users] g_chi quantix1 at gmx.de
[gmx-users] Re: G_cluster Anton Feenstra
[gmx-users] g_covar Ruben Martinez Buey
[gmx-users] g_covar Ruben Martinez Buey
[gmx-users] g_covar Anton Feenstra
[gmx-users] G_Energy calculation ?'s DaJustice1 at aol.com
[gmx-users] G_Energy calculation ?'s David
[gmx-users] G_Energy calculation ?'s DaJustice1 at aol.com
[gmx-users] G_Energy calculation ?'s Christoph Freudenberger
[gmx-users] g_msd T. Zaraiskaya
[gmx-users] g_msd Rainer Boeckmann
[gmx-users] g_msd : input files question Nuno Ricardo Loureiro Ferreira
[gmx-users] g_msd : input files question David
[gmx-users] g_msd : input files question Xavier Periole
[gmx-users] g_sas and shuffled trajectory Dallas Warren
[gmx-users] g_sas w/ OPLS-AA Attila Borics
[gmx-users] g_sas w/ OPLS-AA David
[gmx-users] Re: gmx-users digest, Vol 1 #609 - 8 msgs Chris O'Brien
[gmx-users] Re: gmx-users digest, Vol 1 #609 - 8 msgs Anton Feenstra
[gmx-users] Re: gmx-users digest, Vol 1 #710 - 5 msgs George Patargias DPhil
[gmx-users] Re: gmx-users digest, Vol 1 #729 - 15 msgs Sergio Manzetti
[gmx-users] Re: gmx-users digest, Vol 1 #741 - 10 msgs PeiQuan Chen
[gmx-users] got mail? Lianqing Zheng
[gmx-users] got mail? Anton Feenstra
[gmx-users] Gromos torsion function!! nanyu101
[gmx-users] GROMOS-96 proper dihedrals Dallas Warren
[gmx-users] GROMOS-96 proper dihedrals Gerrit Groenhof
[gmx-users] GROMOS-96 proper dihedrals Dallas Warren
[gmx-users] grompp bug (system charge) Christoph Freudenberger
[gmx-users] grompp bug (system charge) David
[gmx-users] grompp bug (system charge) Berk Hess
[gmx-users] grompp bug (system charge) Christoph Freudenberger
[gmx-users] Haphazard Results with LAM-MPI Venkat Ramanan K
[gmx-users] Haphazard Results with LAM-MPI Dallas Warren
[gmx-users] Haphazard Results with LAM-MPI David
[gmx-users] Haphazard Results with LAM-MPI Venkat Ramanan K
[gmx-users] Haphazard Results with LAM-MPI David van der Spoel
[gmx-users] Haphazard Results with LAM-MPI Anton Feenstra
[gmx-users] Haphazard Results with LAM-MPI Venkat Ramanan K
[gmx-users] Haphazard Results with LAM-MPI David
[gmx-users] has this kind of error met by you? ynzhao at stanford.edu
[gmx-users] has this kind of error met by you? Erik Lindahl
[gmx-users] Help with oplsaa and topology file Alexandre Suman de Araujo
[gmx-users] how to add topology for a new residue Mr.Sridhar
[gmx-users] how to add topology for a new residue David van der Spoel
[gmx-users] how to add topology for a new residue Ruben Martinez Buey
[gmx-users] How to check the version? ynzhao at stanford.edu
[gmx-users] How to check the version? David
[gmx-users] How to check the version? Erik Lindahl
[gmx-users] how to create new residues in the force field? Zhili Zuo
[gmx-users] how to create new residues in the force field? Christoph Freudenberger
[gmx-users] How to define the (CH4-->CH3-CH3) topology files? PeiQuan Chen
[gmx-users] How to define the (CH4-->CH3-CH3) topology files? PeiQuan Chen
[gmx-users] How to generate proper index files... curtchr1 at iit.edu
[gmx-users] How to generate proper index files... David van der Spoel
[gmx-users] How to keep my box from exploding... curtchr1 at iit.edu
[gmx-users] How to keep my box from exploding... David
[gmx-users] How to keep my box from exploding... Erik Lindahl
[gmx-users] How to keep my box from exploding... Xavier Periole
[gmx-users] How to make a two-dimension box? Li Daobing
[gmx-users] How to make a two-dimension box? David van der Spoel
[gmx-users] how to prove the charges in rtp file! nanyu101
[gmx-users] how to prove the charges in rtp file! Anton Feenstra
[gmx-users] How to view several data-sets in grace? Li Daobing
[gmx-users] How to view several data-sets in grace? Y U Sasidhar
[gmx-users] How to view several data-sets in grace? Y U Sasidhar
[gmx-users] How to view several data-sets in grace? Erik Lindahl
[gmx-users] How to view several data-sets in grace? David
[gmx-users] How to view several data-sets in grace? Dmytro
[gmx-users] How to view several data-sets in grace? David van der Spoel
[gmx-users] How to view several data-sets in grace? Anton Feenstra
[gmx-users] Huge .trr file Francesco Tordini
[gmx-users] Huge .trr file Bjoern Windshuegel
[gmx-users] Hydrogen bond autocorrelation function (HBAC) Senthil Kandasamy
[gmx-users] linux crash Thil Batuwangala
[gmx-users] linux crash Christoph Freudenberger
[gmx-users] linux crash Thil Batuwangala
[gmx-users] linux crash David
[gmx-users] lipid order parameter Pedro Alexandre Lapido Loureiro
[gmx-users] lipid order parameter David L. Bostick
[gmx-users] lipid order parameter Pedro Alexandre Lapido Loureiro
[gmx-users] lipid order parameter David L. Bostick
[gmx-users] make_edi and ED sampling updates Bert de Groot
[gmx-users] md after digging a hole in the membrane Itamar Kass
[gmx-users] md after digging a hole in the membrane Erik Lindahl
[gmx-users] md after digging a hole in the membrane Xavier Periole
[gmx-users] md after digging a hole in the membrane Jason DeJoannis
[gmx-users] md after digging a hole in the membrane Erik Lindahl
[gmx-users] NADP Sergio Manzetti
[gmx-users] NADP muthu12
[gmx-users] NADP inferno Sergio Manzetti
[gmx-users] NADP inferno David van der Spoel
[gmx-users] Re: NADP inferno Tanos C. C. França
[gmx-users] Re: NADP inferno Ruben Martinez Buey
[gmx-users] Re: NADP inferno Anton Feenstra
[gmx-users] NAPDH hopeless Sergio Manzetti
[gmx-users] NAPDH hopeless David van der Spoel
[gmx-users] NAPDH hopeless Virtual Daan
[gmx-users] NMA Ruben Martinez Buey
[gmx-users] NMA Bert de Groot
[gmx-users] NMA Ruben Martinez Buey
[gmx-users] NMA Bert de Groot
[gmx-users] NMA Anton Feenstra
[gmx-users] NMA Anton Feenstra
[gmx-users] One dual-CPU computer or a cluster? Itamar Kass
[gmx-users] One dual-CPU computer or a cluster? David van der Spoel
[gmx-users] One dual-CPU computer or a cluster? Oliver Beckstein
[gmx-users] parallel question!!! PeiQuan Chen
[gmx-users] parallel question!!! David
[gmx-users] parallel question!!! Erik Lindahl
[gmx-users] parallel question!!! PeiQuan Chen
[gmx-users] parallel question!!! Erik Lindahl
[gmx-users] parallel question!!! PeiQuan Chen
[gmx-users] parallel question!!! Venkat Ramanan K
[gmx-users] parallel question!!! Erik Lindahl
[gmx-users] parallel question!!! Venkat Ramanan K
[gmx-users] pdb2gmx for non-proteins Christoph Freudenberger
[gmx-users] pdb2gmx for non-proteins Osmany Guirola Cruz
[gmx-users] pdb2gmx for non-proteins Anton Feenstra
[gmx-users] pdb2gmx for non-proteins Christoph Freudenberger
[gmx-users] pdb2gmx for non-proteins Christoph Freudenberger
[gmx-users] pdb2gmx for non-proteins Anton Feenstra
[gmx-users] pdb2gmx for non-proteins Anton Feenstra
[gmx-users] pdb2gmx for non-proteins Christoph Freudenberger
[gmx-users] periodic boundary condition Itamar Kass
[gmx-users] periodic boundary condition David van der Spoel
[gmx-users] pKa calculation from MD trajectories Ivano Eberini
[gmx-users] pKa calculation from MD trajectories Peter Fojan
[gmx-users] pKa calculation from MD trajectories David van der Spoel
[gmx-users] pKa calculation from MD trajectories fp at bio.auc.dk
[gmx-users] pKa calculation from MD trajectories baptista at itqb.unl.pt
[gmx-users] PME correction term sowmianarayanan r
[gmx-users] PME correction term Jason DeJoannis
[gmx-users] PME, MPI and bproc Jason DeJoannis
[gmx-users] PME, MPI and bproc Anton Feenstra
[gmx-users] Position restraints for two groups Sergio Manzetti
[gmx-users] pressure in NVT simulations Ester Chiessi
[gmx-users] pressure in NVT simulations David van der Spoel
[gmx-users] pressure in NVT simulations Ester Chiessi
[gmx-users] pressure in NVT simulations David van der Spoel
[gmx-users] pressure in NVT simulations Ester Chiessi
[gmx-users] pressure in NVT simulations Anton Feenstra
[gmx-users] problem in installation of gromacs geeta at cdfd.org.in
[gmx-users] problem in installation of gromacs Erik Lindahl
[gmx-users] problem in installation of gromacs geeta at cdfd.org.in
[gmx-users] problem in installation of gromacs Christoph Freudenberger
[gmx-users] problem in installation of gromacs Mrs. Geeta Thanu
[gmx-users] problem in installation of gromacs David van der Spoel
[gmx-users] problem with porting excutables to another site (IBM AIX) David
[gmx-users] problem with porting excutables to another site (IBM AIX) Ruhong Zhou
[gmx-users] problem with porting excutables to another site (IBM AIX) Erik Lindahl
[gmx-users] proper dihedral function!!! nanyu101
[gmx-users] proper dihedral function!!! Dallas Warren
[gmx-users] proper dihedral function!!! again!!! nanyu101
[gmx-users] proper dihedral function!!! again!!! Dallas Warren
[gmx-users] proper mdp options Lukas
[gmx-users] proper mdp options Xavier Periole
[gmx-users] proper mdp options Anton Feenstra
[gmx-users] protein jumps 10nm south in the ~20000th frame Paul Barrett
[gmx-users] protein jumps 10nm south in the ~20000th frame David van der Spoel
[gmx-users] protein jumps 10nm south in the ~20000th frame Paul Barrett
[gmx-users] protein jumps 10nm south in the ~20000th frame Bert de Groot
[gmx-users] protein jumps 10nm south in the ~20000th frame Paul Barrett
[gmx-users] Protein with ligand Rahul Banerjee
[gmx-users] Protein with ligand Ruben Martinez Buey
[gmx-users] Protein with ligand Virtual Daan
[gmx-users] pull code Giacomo Fiorin
[gmx-users] pull code question too nk yx
[gmx-users] pull code question too Frauke Meyer
[gmx-users] Quesion about solvent simulation PeiQuan Chen
[gmx-users] Question abouttau_p value! PeiQuan Chen
[gmx-users] Question abouttau_p value! David van der Spoel
[gmx-users] Re: Question abouttau_p value! PeiQuan Chen
[gmx-users] Re: Question abouttau_p value! David van der Spoel
[gmx-users] Re: Question abouttau_p value! PeiQuan Chen
[gmx-users] Re: Question abouttau_p value! David
[gmx-users] questions about SMD simulation of P450 for Anton nk yx
[gmx-users] questions about SMD simulation of P450 for Anton Anton Feenstra
[gmx-users] questions on topology files David Kendall
[gmx-users] questions on topology files Erik Lindahl
[gmx-users] questions on topology files Anton Feenstra
[gmx-users] RB dihedral again and dihedral constants nanyu101
[gmx-users] RB dihedral again and dihedral constants David
[gmx-users] RB dihedral and its force constants! nanyu101
[gmx-users] rescaling PBC for PDB output Alan Wilter Sousa da Silva
[gmx-users] rescaling PBC for PDB output David van der Spoel
[gmx-users] rescaling PBC for PDB output Anton Feenstra
[gmx-users] rescaling PBC for PDB output Alan Wilter Sousa da Silva
[gmx-users] Rised temperatures Ing. Vojtěch Spiwok
[gmx-users] Rised temperatures Christoph Freudenberger
[gmx-users] Rised temperatures David van der Spoel
[gmx-users] Rised temperatures Anton Feenstra
[gmx-users] Ryckaert-Bellemans and OPLS constants Kun-Lin Yang
[gmx-users] Re: Segmentation fault 4 Anton Feenstra
[gmx-users] SHUFFLING tutorial David van der Spoel
[gmx-users] SHUFFLING tutorial Bert de Groot
[gmx-users] SHUFFLING tutorial Jason DeJoannis
[gmx-users] SHUFFLING tutorial Dallas Warren
[gmx-users] Simulation Sergio Manzetti
[gmx-users] Simulation Sergio Manzetti
[gmx-users] Simulation Ghermes Chilov
[gmx-users] Simulation Anton Feenstra
[gmx-users] small molecule topologies for X-ray refinement etc. Daan van Aalten
[gmx-users] Some confusion about calculation of RMSDs Marc Baaden
[gmx-users] Some confusion about calculation of RMSDs David van der Spoel
[gmx-users] Re: Sorry for interrupt you.This mail include the *.itp files David van der Spoel
[gmx-users] SPC vs TIP3P Marcos Villarreal
[gmx-users] SPC vs TIP3P David van der Spoel
[gmx-users] SPC vs TIP3P Erik Lindahl
[gmx-users] sridhar at dummy hydrogens and CG minimization Mr.Sridhar
[gmx-users] sridhar at dummy hydrogens in pdb2gmx. Mr.Sridhar
[gmx-users] sridhar at RERUNNING INTERRUPTED MD SIMULATION Mr.Sridhar
[gmx-users] sridhar at RERUNNING INTERRUPTED MD SIMULATION Dallas Warren
[gmx-users] sridhar-location of topology files Mr.Sridhar
[gmx-users] sridhar-location of topology files David
[gmx-users] sridhar-location of topology files Erik Lindahl
[gmx-users] sridhar-location of topology files Christoph Freudenberger
[gmx-users] sridhar-problem with cg minimization in gromacs. Mr.Sridhar
[gmx-users] sridhar-problem with cg minimization in gromacs. Anton Feenstra
[gmx-users] sridhar-problem with Position Restrained Dynamics run. David
[gmx-users] sridhar-problem with Position Restrained Dynamics run. Mr.Sridhar
[gmx-users] sridhar-problem with Position Restrained Dynamics run. Christoph Freudenberger
[gmx-users] SSE vs 3DNow! Ghermes Chilov
[gmx-users] SSE vs 3DNow! David van der Spoel
[gmx-users] tabscale=0 Lianqing Zheng
[gmx-users] Tabulated soft-core potential, Ewald and free energy Filip Ryjácek
[gmx-users] Tabulated soft-core potential, Ewald and free energy Anton Feenstra
[gmx-users] TFE-water simulations Attila Borics
[gmx-users] TFE-water simulations David
[gmx-users] The dielectric constant, epsilon_r Kun-Lin Yang
[gmx-users] The dielectric constant, epsilon_r David
[gmx-users] TIP3 Nguyen Hoang Phuong
[gmx-users] TIP3 David
[gmx-users] TOPOLOGY-FILE:how to add topology for a new residue Mr.Sridhar
[gmx-users] tpbconv Deepa Rajamani
[gmx-users] tpbconv Oliver Beckstein
[gmx-users] trjconv, g_mindist and others in parallel Mike Tallhammer
[gmx-users] trjconv, g_mindist and others in parallel David
[gmx-users] trjconv, g_mindist and others in parallel Erik Lindahl
[gmx-users] What are ref_t & tau_t? Rahul Banerjee
[gmx-users] What are ref_t & tau_t? David
[gmx-users] where are RB dihedral force constants! nanyu101
[gmx-users] where are RB dihedral force constants! David
[gmx-users] which software should I used to view .xvg file?? Li Daobing
[gmx-users] which software should I used to view .xvg file?? Christoph Freudenberger
[gmx-users] which software should I used to view .xvg file?? David
[gmx-users] Which subroutine output the forces and coordinates? ynzhao at stanford.edu
[gmx-users] Which subroutine output the forces and coordinates? Erik Lindahl
[gmx-users] X interface on OS X Michael Murray
[gmx-users] X interface on OS X Erik Lindahl
[gmx-users] X interface on OS X David
[gmx-users] X interface on OS X Anton Feenstra
[gmx-users] xtc trajectory visualization with DINO Ansgar Philippsen

Last message date: Wed Apr 30 22:12:01 CEST 2003
Archived on: Thu Nov 14 12:00:06 CET 2013

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