August 2005 Archives by date

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Starting: Mon Aug 1 04:49:28 CEST 2005
Ending: Wed Aug 31 22:31:32 CEST 2005
Messages: 483

[gmx-users] compiling gromacs on powerpc64 Martin Siegert
[gmx-users] Range Checking error leafyoung81-group at yahoo.com
[gmx-users] Could md rerun regenerate corresponding .edr file?? sunita at chem.iitb.ac.in
[gmx-users] Could md rerun regenerate corresponding .edr file?? David van der Spoel
[gmx-users] Range Checking error li dawei
[gmx-users] Range Checking error - <leafyoung81-group at yahoo.com>, "Discussion list for GROMACS users" <gmx-users at gromacs.org> leafyoung81-group at yahoo.com
[gmx-users] Could md rerun regenerate corresponding .edr file?? sunita at chem.iitb.ac.in
[gmx-users] adding iodine Magnus Andersson
[gmx-users] Scaling Benchmarks Jens Krüger
[gmx-users] Could md rerun regenerate corresponding .edr file?? David
[gmx-users] adding iodine David
[gmx-users] adding iodine Magnus Andersson
[gmx-users] adding iodine Matt Ziegler
[gmx-users] visualization tools for trajectories Matt Ziegler
[gmx-users] dummy atom vdw interactions Mu Yuguang (Dr)
[gmx-users] visualization tools for trajectories Itamar Kass
[gmx-users] dummy atom vdw interactions David van der Spoel
[gmx-users] which files to correct? Magnus Andersson
[gmx-users] which files to correct? Mu Yuguang (Dr)
[gmx-users] Parameters in PME Janne Hirvi
[gmx-users] visualization tools for trajectories sunita at chem.iitb.ac.in
[gmx-users] Parameters in PME David van der Spoel
[gmx-users] forcing structure Osmany Guirola Cruz
[gmx-users] forcing structure Magnus Andersson
[gmx-users] forcing structure Osmany Guirola Cruz
[gmx-users] forcing structure Kay Gottschalk
[gmx-users] forcing structure Tsjerk Wassenaar
[gmx-users] which files to correct? David van der Spoel
[gmx-users] which files to correct? Magnus Andersson
[gmx-users] Calculation of forces Rahul Godawat
[gmx-users] density of zinc Budiono
[gmx-users] Carbon Nanotube Force Field Bob Johnson
[gmx-users] dummy atom vdw interactions leafyoung81-group at yahoo.com
[gmx-users] Stepsize too small ( what to do?) Anil Kumar
[gmx-users] which files to correct? David
[gmx-users] Calculation of forces David
[gmx-users] density of zinc David
[gmx-users] Carbon Nanotube Force Field David
[gmx-users] dummy atom vdw interactions David
[gmx-users] Scaling Benchmarks Eric Jakobsson
[gmx-users] visualization tools for trajectories Eric Jakobsson
[gmx-users] RE: Insertion of protein in lipid bilayer Graham Smith
[gmx-users] Re: REMD restarts Ken Rotondi
[gmx-users] Unstable Carbon Nanotube Bob Johnson
[gmx-users] Simulation of villin headpiece (J. Phys. Chem. B, van der Spoel and Lindahl. 107:11178) Hwankyu Lee
[gmx-users] Carbon Nanotube Force Field Jian Zou
[gmx-users] Carbon Nanotube Force Field Jian Zou
[gmx-users] Unstable Carbon Nanotube David
[Fwd: Re: [gmx-users] dummy atom vdw interactions] David
[Fwd: Re: [gmx-users] dummy atom vdw interactions] leafyoung81-group at yahoo.com
[Fwd: Re: [gmx-users] dummy atom vdw interactions] David
[gmx-users] Scaling Benchmarks Jens Krüger
[Fwd: Re: [gmx-users] dummy atom vdw interactions] David
[gmx-users] Re: Installing fftw and then Gromacs Mahalakshmi S
[gmx-users] Re: Installing fftw and then Gromacs David
[gmx-users] why the values is not equal! chiloo Laohpongspaisan
[gmx-users] compiling gromacs on powerpc64 Nathan Moore
[gmx-users] why the values is not equal! Mark Abraham
[gmx-users] Stepsize too small ( what to do?) li dawei
[gmx-users] why the values is not equal! David van der Spoel
[Fwd: Re: [gmx-users] dummy atom vdw interactions] leafyoung81-group at yahoo.com
[gmx-users] Lorentz-Berthelot mixing rules Jim Kress
[gmx-users] Stepsize too small ( what to do?) Kai Zhuang
[gmx-users] apbs : pqr file generation problem Kai Zhuang
[gmx-users] apbs : pqr file generation problem David
[gmx-users] trajectory manipulation on individual groups or cut & paste ? Marc Baaden
[gmx-users] trajectory manipulation on individual groups or cut & paste ? David
[gmx-users] apbs : pqr file generation problem Kai Zhuang
[gmx-users] compiling gromacs on powerpc64 Martin Siegert
[gmx-users] First question. Ivan R. Judson
[gmx-users] compiling gromacs on powerpc64 Martin Siegert
[gmx-users] First question. Dallas B. Warren
[gmx-users] compiling gromacs on powerpc64 David van der Spoel
[gmx-users] trajectory manipulation on individual groups or cut & paste ? Tsjerk Wassenaar
[gmx-users] trajectory manipulation on individual groups or cut & paste ? Marc Baaden
[gmx-users] trajectory manipulation on individual groups or cut & paste ? David
[gmx-users] trajectory manipulation on individual groups or cut & paste ? Marc Baaden
[gmx-users] GROMACS with SGI native compliers Ken Rotondi
[gmx-users] GROMACS with SGI native compliers Haruna Cofer
[gmx-users] Itanium2 +gromacs 3.3 + mpi Anna Róg
[gmx-users] GROMACS with SGI native compliers Ken Rotondi
[gmx-users] kernel-stamp Rainer Böckmann
[gmx-users] GROMACS with SGI native compliers Nathan Moore
[gmx-users] Decane layer M.Naser
[gmx-users] compiling gromacs on powerpc64 Nathan Moore
[gmx-users] extra points wrapping in trajectory Lubos Vrbka
[gmx-users] box curiosity Ken Rotondi
[gmx-users] box curiosity Xavier Periole
[gmx-users] GROMACS with SGI native compliers Nathan Moore
[gmx-users] kernel-stamp David
[gmx-users] Decane layer David
[gmx-users] box curiosity Ken Rotondi
[gmx-users] .xtc compresson Ken Rotondi
[gmx-users] .xtc compresson David
[gmx-users] RE: Insertion of protein in lipid bilayer rob yang
[gmx-users] .xtc compresson Ken Rotondi
[gmx-users] .xtc compresson Viswanadham Sridhara
[gmx-users] compiling gromacs on powerpc64 Martin Siegert
[gmx-users] kernel-stamp Rainer Böckmann
[gmx-users] GROMACS with SGI native compliers Haruna Cofer
[gmx-users] compiling gromacs on powerpc64 David
[gmx-users] GROMACS with SGI native compliers Nathan Moore
[gmx-users] GROMACS with SGI native compliers Haruna Cofer
[gmx-users] Energy = nan Viswanadham Sridhara
[gmx-users] Handling a very large system Ken Rotondi
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] Decane layer M.Naser
[gmx-users] Decane layer David van der Spoel
[gmx-users] Decane layer M.Naser
[gmx-users] Decane layer David van der Spoel
[gmx-users] Handling a very large system David van der Spoel
[gmx-users] Decane layer M.Naser
[gmx-users] The precision from gmxdump Tanping Li
[gmx-users] compiling gromacs on powerpc64 Martin Siegert
[gmx-users] Decane layer Kai Zhuang
[gmx-users] Decane layer David
[gmx-users] The precision from gmxdump David
[gmx-users] Decane layer David
[gmx-users] Generating coordinates for non-protein molecules deepa rajamani
[gmx-users] The precision from gmxdump Tanping Li
[gmx-users] ambconv Hwankyu Lee
[gmx-users] Generating coordinates for non-protein molecules David
[gmx-users] The precision from gmxdump David
[gmx-users] qm partial charges Ben Sattelle
[gmx-users] RE: qm partial charges (Ben Sattelle) Jim Kress
[gmx-users] energy minimization of DNA in water Kristina Woods
[gmx-users] position restrained MD run? Samuel Flores
[gmx-users] The loops run far away Tanping Li
[gmx-users] Re: Installing fftw and then Gromacs Mahalakshmi S
[gmx-users] Adding sphere of molecules Mahalakshmi S
[gmx-users] continual running chiloo Laohpongspaisan
[gmx-users] Adding sphere of molecules David
[gmx-users] energy minimization of DNA in water David
[gmx-users] position restrained MD run? David
[gmx-users] The loops run far away David
[gmx-users] continual running David
[gmx-users] continual running chiloo Laohpongspaisan
[gmx-users] continual running David
[gmx-users] Adding sphere of molecules Mahalakshmi S
[gmx-users] RE: Insertion of protein in lipid bilayer Graham Smith
RES: [gmx-users] RE: qm partial charges (Ben Sattelle) Hugo Verli
[gmx-users] introducing a molecule into a bilayer Ramachandra Rao Gullapalli
[gmx-users] position restrained MD run? Samuel Flores
[gmx-users] (no subject) Eva Priego
[gmx-users] Carbon Nanotube Unstable with LJ Bob Johnson
[gmx-users] position restrained MD run? Kai Zhuang
[gmx-users] introducing a molecule into a bilayer David L. Bostick
[gmx-users] position restrained MD run? Samuel Flores
[gmx-users] FEP w/ PME inner loops David L. Bostick
[gmx-users] Decane layer M.Naser
[gmx-users] Study the non-equilibrium freezing processes of DNA in Water Xin Liu
[gmx-users] The loops run far away Tanping Li
[gmx-users] Trajectory visualization and PBC Monique Brito
[gmx-users] (no subject) David
[gmx-users] Decane layer David
[gmx-users] Decane layer M.Naser
[gmx-users] FEP w/ PME inner loops David
[gmx-users] Study the non-equilibrium freezing processes of DNA in Water David
[gmx-users] The loops run far away David
[gmx-users] Trajectory visualization and PBC David
[gmx-users] Decane layer David
[gmx-users] position restrained MD run? Tsjerk Wassenaar
[gmx-users] Autocorrelation Anthony Cruz
[gmx-users] essential dynamics Anthony Cruz
[gmx-users] technical difficulties while running grompp rahul karryappa
[gmx-users] [Fwd: No Subject]genion David
[gmx-users] Autocorrelation David
[gmx-users] essential dynamics David
[gmx-users] RE: looped dna Mu Yuguang (Dr)
[gmx-users] RE: looped dna David van der Spoel
[gmx-users] RE: looped dna Mu Yuguang (Dr)
[gmx-users] RE: looped dna David van der Spoel
[gmx-users] Creating water slabs on bilayer headgroups marcos
[gmx-users] Creating water slabs on bilayer headgroups fsaadedi at staffmail.ed.ac.uk
[gmx-users] Creating water slabs on bilayer headgroups David
[gmx-users] Creating water slabs on bilayer headgroups fsaadedi at staffmail.ed.ac.uk
[gmx-users] FEP w/ PME inner loops Berk Hess
[gmx-users] Creating water slabs on bilayer headgroups M.Naser
[gmx-users] Decane layer M.Naser
[gmx-users] Carbon Nanotube Unstable with LJ Bob Johnson
[gmx-users] template.c: HOW TO READ X and V avb
[gmx-users] Creating water slabs on bilayer headgroups David
[gmx-users] Decane layer David
[gmx-users] Carbon Nanotube Unstable with LJ David
[gmx-users] template.c: HOW TO READ X and V David
[gmx-users] Creating water slabs on bilayer headgroups David L. Bostick
[gmx-users] Solvent-accessible volume and other quantities for comparison with experiment Steven Kirk
[gmx-users] position correlation functions Manan Chopra
[gmx-users] topology difference between normal and sort/shuffled run leafyoung81-group at yahoo.com
[gmx-users] comm_mode Alberto Malvezzi
[gmx-users] Intel and GNU compiler leafyoung81-group at yahoo.com
[gmx-users] Intel and GNU compiler David
[gmx-users] topology difference between normal and sort/shuffled run David
[gmx-users] OPLS-AA Dihedral Parameters for OS-CT-CT-OH Joshua D. Moore
[gmx-users] Intel and GNU compiler Yang Ye
[gmx-users] Intel and GNU compiler Yang Ye
[gmx-users] output of .gro file ARGYRIOS KARATRANTOS
[gmx-users] output of .gro file Dallas B. Warren
[gmx-users] Intel and GNU compiler David
[gmx-users] OPLS-AA Dihedral Parameters for OS-CT-CT-OH David
[gmx-users] Intel and GNU compiler leafyoung81-group at yahoo.com
[gmx-users] Intel and GNU compiler David
[gmx-users] water analysis UCT Staff Member - Jackson
[gmx-users] On robustness of settle algorithm Qikai Li
[gmx-users] ambconv Lubos Vrbka
[gmx-users] essential dynamics David
[gmx-users] Re: (no subject) Weidong Xin
[gmx-users] Solvent-accessible volume and other quantities for comparison with experiment David
[gmx-users] genconf Ur-Rehman, Saif
[gmx-users] essential dynamics Anthony Cruz
[gmx-users] problem with trjconv Jozef Hritz
[gmx-users] problem with trjconv David
[gmx-users] problem with trjconv Mu Yuguang (Dr)
[gmx-users] nanotubes simulation Aina Quintilla
[gmx-users] mpich - mdrun problem and md using mpich Yuhua Song
[gmx-users] mpich - mdrun problem and md using mpich Yuhua Song
[gmx-users] Fw: mpich - mdrun problem and md using mpich Yuhua Song
[gmx-users] genconf M.Naser
[gmx-users] mpich - mdrun problem and md using mpich Yuhua Song
[gmx-users] mpich - mdrun problem and md using mpich Yuhua Song
[gmx-users] Chop the files marcos
[gmx-users] [Fwd: mpich - mdrun problem and md using mpich] David
[gmx-users] mpich - mdrun problem and md using mpich David
[gmx-users] mpich - mdrun problem and md using mpich Yuhua Song
[gmx-users] Chop the files Gia Maisuradze
[gmx-users] gromacs conference Claudio, Dr. Gil
[gmx-users] water analysis Dallas B. Warren
[gmx-users] files missing Rahul Karyappa
[gmx-users] Weidong Xin
[gmx-users] files missing David
[gmx-users] files missing Rahul Karyappa
[gmx-users] Decane layer M.Naser
[gmx-users] rob yang
[gmx-users] Decane layer M.Naser
[gmx-users] problems with normal mode analysis Kristina Woods
[gmx-users] Position restraint file Bob Johnson
[gmx-users] oxidized cysteine Alberto Malvezzi
[gmx-users] Position restraint file Kai Zhuang
[gmx-users] Simulation Questions James R. Graham
[gmx-users] Using restrained positions Bob Johnson
[gmx-users] Dielectric is essentially 1? Steven Spronk
[gmx-users] Using restrained positions Yang Ye
[gmx-users] Position restraint file Yang Ye
[gmx-users] Position restraint file Kai Zhuang
[gmx-users] surface wettability Budiono
[gmx-users] Using restrained positions Jon
[gmx-users] Position restraint file Yang Ye
[gmx-users] Position restraint file Kai Zhuang
[gmx-users] FFTW.h and Gromacs Install on Powerpc64 Matthew Davis
[gmx-users] Error in hdb file: nah = 47 Alberto Malvezzi
[gmx-users] Including a position restraint file Bob Johnson
[gmx-users] Nanotube and Periodic Boundary Conditions Bob Johnson
[gmx-users] FFTW.h and Gromacs Install on Powerpc64 Ivan R. Judson
[gmx-users] Nanotube and Periodic Boundary Conditions David
[gmx-users] Including a position restraint file David
[gmx-users] FFTW.h and Gromacs Install on Powerpc64 David
[gmx-users] how to constructure the input file of zhouhongtao at vip.sina.com
[gmx-users] Including a position restraint file Yang Ye
[gmx-users] Nanotube and DNA with periodic boundary conditions Bob Johnson
[gmx-users] [Fwd: Position restraints in GROMACS] David
[gmx-users] Nanotube and DNA with periodic boundary conditions David
[gmx-users]what is a segmentation fault? 亓文鹏
[gmx-users] Re: Nanotube and DNA with periodic boundary conditions Bob Johnson
[gmx-users] Re: Nanotube and DNA with periodic boundary conditions David
[gmx-users] Different in Pressure chiloo Laohpongspaisan
[gmx-users] Different in Pressure Mark Abraham
[gmx-users] Different in Pressure chiloo Laohpongspaisan
[gmx-users] [Fwd: Different in Pressure] David van der Spoel
[gmx-users] Morse bond and G96 Angle using x2top? Bob Johnson
[gmx-users] Morse bond and G96 Angle using x2top? David van der Spoel
[gmx-users] Re: gmx-users Digest, Vol 16, Issue 40 Matthew Davis
[gmx-users] Proper Dih. multiplicity Alberto Malvezzi
[gmx-users] MD with constraints for part of the molecule Angela Liu
[gmx-users] Proper Dih. multiplicity Alberto Malvezzi
[gmx-users] Extract of free energy difference from FEP bmbbl at leeds.ac.uk
[gmx-users] FEP w/ PME inner loops David L. Bostick
[gmx-users] Re: gmx-users Digest, Vol 16, Issue 40 David
[gmx-users] Proper Dih. multiplicity David
[gmx-users] gromacs on powerpc Martin Siegert
[gmx-users] PBC removing why? JAVIER SACRISTAN
[gmx-users] PBC removing why? Anton Feenstra
[gmx-users] PBC removing why? David van der Spoel
[gmx-users] make_edi John Simms
[gmx-users] removing PBC why? javier
[gmx-users] Run keeps crashing Ur-Rehman, Saif
[gmx-users] make_edi Bert de Groot
[gmx-users] Error when reading xtc trajectory Christian Burisch
[gmx-users] Error when reading xtc trajectory David
[gmx-users] Error when reading xtc trajectory Christian Burisch
[gmx-users] Error when reading xtc trajectory Christian Burisch
[gmx-users] Zinc-coordinated protein simulation Linda
[gmx-users] Error when reading xtc trajectory David
[gmx-users] Zinc-coordinated protein simulation David
[gmx-users] Help in listing g_energy energies Monique Brito
[gmx-users] error after new addition of molecule Rahul Karyappa
[gmx-users] error after new addition of molecule David van der Spoel
[gmx-users] Viewing large trajectory files Viswanadham Sridhara
[gmx-users] oxidized cysteine Marc F. Lensink
[gmx-users] Eigenvalues relative cumulative positional fluctuation David van der Spoel
[gmx-users] error after new addition of molecule Rahul Karyappa
[gmx-users] error, bug (?) using pbc = no Jennifer Rendell
[gmx-users] Eigenvalues relative cumulative positional fluctuation Anthony Cruz
[gmx-users] error, bug (?) using pbc = no David van der Spoel
[gmx-users] Eigenvalues relative cumulative positional fluctuation Berk Hess
[gmx-users] removing PBC first time javier
[gmx-users] topology for protein-surface amide bond Jon
[gmx-users] topology for protein-surface amide bond David
[gmx-users] Eigenvalues relative cumulative positional fluctuation Anthony Cruz
[gmx-users] Eigenvalues relative cumulative positional fluctuation Anthony Cruz
[gmx-users] Eigenvalues relative cumulative positional fluctuation Anthony Cruz
[gmx-users] FEP w/ PME inner loops David L. Bostick
[gmx-users] Gromacs in Parallel Shrivastava, Indira
[gmx-users] Gromacs in Parallel David
[gmx-users] cutoff questions Ken Rotondi
[gmx-users] fixing molecules in normal mode? xzp02 at mails.tsinghua.edu.cn
[gmx-users] fixing molecules in normal mode? Bert de Groot
[gmx-users] Viewing large trajectory files Tsjerk Wassenaar
[gmx-users] error after new addition of molecule Tsjerk Wassenaar
[gmx-users] problem while entering a new residue in ffgmx.rtp file Rahul Karyappa
[gmx-users] problem while entering a new residue in ffgmx.rtp file Marc F. Lensink
[gmx-users] stable trajectory? Ulrich Omasits
[gmx-users] stable trajectory? David van der Spoel
[gmx-users] Protein-ligand interactions Shrivastava, Indira
[gmx-users] Protein-ligand interactions David van der Spoel
[gmx-users] Viewing large trajectory files Viswanadham Sridhara
[gmx-users] Protein-ligand interactions Shrivastava, Indira
[gmx-users] Zinc-coordinated protein simulation David van der Spoel
[gmx-users] Warning: line numbers must be positive; line number 0 rejected Joanne Hanna
[gmx-users] Zinc-coordinated protein simulation Linda
[gmx-users] Removing periodic boundary conditions using trjconv Bob Johnson
[gmx-users] Removing periodic boundary conditions using trjconv Yang Ye
[gmx-users] Removing periodic boundary conditions using trjconv David
[gmx-users] Differences beetween .g96 and .gro files?? Leonardo Sepulveda Durán
[gmx-users] Differences beetween .g96 and .gro files?? Kai Zhuang
[gmx-users] Conserved energy Alberto Malvezzi
[gmx-users] Conserved energy Peter C. Lai
[gmx-users] Zinc-coordinated protein simulation Maik Goette
[gmx-users] g_covar David
[gmx-users] g_covar Anthony Cruz
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Marcos Villarreal
[gmx-users] Extracting frames in readable format from .trr files Leonardo Sepulveda Durán
[gmx-users] residue titration w/ FEP David L. Bostick
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] water shell Sichun Yang
[gmx-users] Extracting frames in readable format from .trr files leafyoung81-group at yahoo.com
[gmx-users] how to add a repeat unit in the .rtp file Rahul Karyappa
[gmx-users] g_covar Tsjerk Wassenaar
[gmx-users] g_rdf calculations for monolayer Sriprajak Krongsuk
[gmx-users] g_rdf calculations for monolayer David
[gmx-users] visual representation Magnus Andersson
[gmx-users] Zinc-coordinated protein simulation Sandeep Somani
[gmx-users] Zinc-coordinated protein simulation Sandeep Somani
[gmx-users] g_rdf calculations for monolayer Andre Farias de Moura
[gmx-users] residue titration w/ FEP paloureiro at biof.ufrj.br
[gmx-users] polyethylen oxide (PEO) Jozef Hritz
[gmx-users] c6 & c12 parameters Magnus Andersson
[gmx-users] strange cumulative number using g_rdf Andre Farias de Moura
[gmx-users] g_covar Tsjerk Wassenaar
[gmx-users] g_covar Anthony Cruz
[gmx-users] residue titration w/ FEP David L. Bostick
[gmx-users] Restart option-GMX chandran karunakaran
[gmx-users] Restart option-GMX chandran karunakaran
[gmx-users] Restart option-GMX Ran Friedman
[gmx-users] problem with tpbconv csilva at qui.uc.pt
[gmx-users] residue titration w/ FEP paloureiro at biof.ufrj.br
[gmx-users] script to remove water Ramachandra Rao Gullapalli
[gmx-users] problem with tpbconv Sanjay Nilapwar
[gmx-users] Segmentation fault in genion for monolayer-protein system Jon
[gmx-users] Segmentation fault in genion for monolayer-protein system Farid Sa'adedin
[gmx-users] Bug in g_confrms ! Marc Baaden
[gmx-users] assembly loops on Solaris x86 compile Greg Lukeman
[gmx-users] script to remove water Kai Zhuang
[gmx-users] Re: Segmentation fault in genion for monolayer-protein system Jon
[gmx-users] How to add specific no. of water molecules in the box Rahul Karyappa
[gmx-users] Bug in g_confrms ! Berk Hess
[gmx-users] strange cumulative number using g_rdf Berk Hess
[gmx-users] WARNING: atom missing Rahul Karyappa
[gmx-users] Demo not working? abelius
[gmx-users] g_anaeig, g_analyze, and ED oikawa
[gmx-users] g_anaeig, g_analyze, and ED Anthony Cruz
[gmx-users] Gromacs + LAM/MPI error... André Ricardo Landim
[gmx-users] strange cumulative number using g_rdf Andre Farias de Moura
[gmx-users] Problem of mdrun_d in CVS VERSION 3.3_beta_20050823 xu yechun
[gmx-users] Re: script to remove water (Kai Zhuang) John Simms
[gmx-users] Gromacs + LAM/MPI error... leafyoung81-group at yahoo.com
[gmx-users] mpi and acml compiling Andrey V. Golovin
[gmx-users] essential dynamics Anthony Cruz
[gmx-users] Problem of mdrun_d in CVS VERSION 3.3_beta_20050823 David
[gmx-users] mpi and acml compiling David
[gmx-users] mpi and acml compiling leafyoung81-group at yahoo.com
[gmx-users] Re: LINCS warnings and box errors abelius
[gmx-users] Re:Problem of mdrun_d in CVS VERSION 3.3_beta_20050823 xu yechun
[gmx-users] Re:Problem of mdrun_d in CVS VERSION 3.3_beta_20050823 David van der Spoel
[gmx-users] Inconsistent between velocity and force data? xzp02 at mails.tsinghua.edu.cn
[gmx-users] Inconsistent between velocity and force data? xzp02 at mails.tsinghua.edu.cn
[gmx-users] Inconsistent between velocity and force data? xzp02 at mails.tsinghua.edu.cn
[gmx-users] Inconsistent between velocity and force data? xzp02 at mails.tsinghua.edu.cn
[gmx-users] Inconsistent between velocity and force data? xzp02 at mails.tsinghua.edu.cn
[gmx-users] Inconsistent between velocity and force data? xzp02 at mails.tsinghua.edu.cn
[gmx-users] Re:Re:Problem of mdrun_d in CVS VERSION 3.3_beta_20050823 xu yechun
[gmx-users] Re:Re:Problem of mdrun_d in CVS VERSION 3.3_beta_20050823 David van der Spoel
[gmx-users] PLease it's very important......help needed Rahul Karyappa
[gmx-users] problems with output frequency and timestamps Grazia Daminelli
[gmx-users] mpi and acml compiling Andrey V. Golovin
[gmx-users] unit of eigenvalue from g_nmeig? Joohyun Kim
[gmx-users] residue titration w/ FEP David L. Bostick
[gmx-users] Problem running Demo abelius
[gmx-users] Problem running Demo Ragothaman Yennamalli
[gmx-users] Problem running Demo David van der Spoel
[gmx-users] PCA and free energy profiles Gia Maisuradze
[gmx-users] Purpose of the pair list Bob Johnson
[gmx-users] Simulation crashing Bob Johnson
[gmx-users] rephrase my question about torsional restraints David Mobley
[gmx-users] rephrase my question about torsional restraints David van der Spoel
[gmx-users] Purpose of the pair list David van der Spoel
[gmx-users] Restart files Bob Johnson
[gmx-users] Restart files David van der Spoel
[gmx-users] Adding water Bob Johnson
[gmx-users] Adding water (part 2) Bob Johnson
[gmx-users] Adding water (part 2) David van der Spoel
[gmx-users] Removing velocities from restart file Bob Johnson
[gmx-users] Removing velocities from restart file David van der Spoel
[gmx-users] reflecting sphere Wang Zhun
[gmx-users] DPPS Viswanadham Sridhara
[gmx-users] cavity size of active site chandran karunakaran
[gmx-users] cavity size of active site David van der Spoel
[gmx-users] Re: PCA and free energy profiles Ing. Vojtech Spiwok
[gmx-users] error: Not enough ref_t and tau_t values! Prettina Anto_Louis
[gmx-users] Simulation crashing Tsjerk Wassenaar
[gmx-users] difficulty when I run mdrun Rahul Karyappa
[gmx-users] difficulty when I run mdrun Magnus Andersson
[gmx-users] Re: Not enough ref_t and tau_t values Sriprajak Krongsuk
[gmx-users] Re: PCA and free energy profiles Yang Ye
[gmx-users] error: Not enough ref_t and tau_t values! Yang Ye
[gmx-users] [Fwd: reflecting sphere] David van der Spoel
[gmx-users] Decane M.Naser
[gmx-users] FEP w/ PME inner loops Erik Lindahl
[gmx-users] Decane Erik Lindahl
[gmx-users] Decane M.Naser
[gmx-users] Decane David van der Spoel
[gmx-users] Decane M.Naser
[gmx-users] Decane David van der Spoel
[gmx-users] Re: PCA and free energy profiles Gia Maisuradze
[gmx-users] Decane M.Naser
[gmx-users] Decane James R. Graham
[gmx-users] Decane M.Naser
[gmx-users] Decane James R. Graham
[gmx-users] FEP w/ PME inner loops David L. Bostick
[gmx-users] Decane David van der Spoel
[gmx-users] glucose in water Claudio, Dr. Gil
[gmx-users] difficulty when I run mdrun Anton Feenstra
[gmx-users] reflecting sphere Anton Feenstra
[gmx-users] Restart files Anton Feenstra
[gmx-users] rephrase my question about torsional restraints Anton Feenstra
[gmx-users] FEP w/ PME inner loops Erik Lindahl
[gmx-users] rephrase my question about torsional restraints Uwe Richter
[gmx-users] what does g_energy actually calculate? Robert d'Rozario
[gmx-users] difficulty when I run mdrun Rahul Karyappa
[gmx-users] reflecting sphere leafyoung81-group at yahoo.com
[gmx-users] what does g_energy actually calculate? David van der Spoel
[gmx-users] FEP w/ PME inner loops David L. Bostick
[gmx-users] Exploding molecules Jeffrey Chua
[gmx-users] Exploding molecules Jeffrey Chua
[gmx-users] Re: reflecting sphere Pim Schravendijk
[gmx-users] Exploding molecules David van der Spoel
[gmx-users] pull DNA qwp
[gmx-users] error while running mdrun Rahul Karyappa
[gmx-users] error while running pdb2gmx.... Rahul Karyappa
[gmx-users] COM motion removal, LINCS error, PBC artifact? Leonardo Sepulveda Durán
[gmx-users] Problem in creating *.tpr file naga raju
[gmx-users] Problem in creating *.tpr file Yang Ye
[gmx-users] COM motion removal, LINCS error, PBC artifact? Yang Ye
[gmx-users] [Fwd: problem in grompp] David
[gmx-users] Exploding molecules Frederic Leroy
[gmx-users] Question about annealing and thermostat Leonardo Sepulveda Durán
[gmx-users] Decane Naser, Md Abu
[gmx-users] dummies Omololu
[gmx-users] Question about annealing and thermostat David
[gmx-users] The tumbling of protein in water Tanping Li
[gmx-users] The RMSD problem Tanping Li
[gmx-users] Re: g_rdf calculations for monolayer Pim Schravendijk
[gmx-users] Installation Question - Large Files and Inner Loops Joanne Hanna
[gmx-users] error while running mdrun Tsjerk Wassenaar

Last message date: Wed Aug 31 22:31:32 CEST 2005
Archived on: Thu Nov 14 12:02:04 CET 2013

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