November 2002 Archives by author

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Starting: Fri Nov 1 03:35:02 CET 2002
Ending: Sat Nov 30 22:35:43 CET 2002
Messages: 309

[gmx-users] how to create itps of a ploymer =?GB2312?Q?=CE=E2=CF=D4=BB=D4?=
[gmx-users] about rtp file =?GB2312?Q?=CE=E2=CF=D4=BB=D4?=
[gmx-users] about rtp and pdb =?GB2312?Q?=CE=E2=CF=D4=BB=D4?=
[gmx-users] charges for rtp file. =?GB2312?Q?=CE=E2=CF=D4=BB=D4?=
[gmx-users] charges for rtp file. =?GB2312?Q?=CE=E2=CF=D4=BB=D4?=
[gmx-users] about rtp and pdb =?GB2312?Q?=CE=E2=CF=D4=BB=D4?=
[gmx-users] A problem about the simulation of lipid bilayer! =?gb2312?q?yong=20pei?=
[gmx-users] A problem about forcefield ffG43a2 for lipid layer system! =?gb2312?q?yong=20pei?=
[gmx-users] still seg faults with the beta on Mac OSX G4 nicolis at guideo.fr
[gmx-users] Re: [gmx-users] still seg faults with the beta on Mac OSX G4 nicolis at guideo.fr
[gmx-users] Re: [gmx-users] still seg faults with the beta on Mac OSX G4 nicolis at guideo.fr
[gmx-users] bilayer & genbox/editconf Chris Shaw
[gmx-users] Atom type not found. Chris Shaw
[gmx-users] Energy minimization subramaniam sivaraman
[gmx-users] Position restraint problem Arpita Aravind
[gmx-users] Position restraint problem Arpita Aravind
[gmx-users] implicit solvent Marc Baaden
[gmx-users] implicit solvent Marc Baaden
[gmx-users] CHelpG charge for Fe Marc Baaden
[gmx-users] protein / bilayer problems Marc Baaden
[gmx-users] Parameters for Mn2+ ions coordinated with carboxylate Marc Baaden
[gmx-users] Parameters for Mn2+ ions coordinated with carboxylate Marc Baaden
[gmx-users] g_cluster Marc Baaden
[gmx-users] please, no large attachments?? Lynne E. Bilston
[gmx-users] bilayer & genbox/editconf Rainer Boeckmann
[gmx-users] re: help for gromacs tools Rainer Boeckmann
[gmx-users] workaround for PME coulomb energy David L. Bostick
[gmx-users] workaround for PME coulomb energy (fwd) David L. Bostick
[gmx-users] workaround for PME coulomb energy (fwd) David L. Bostick
[gmx-users] topology Ruben Martinez Buey
[gmx-users] questions about PRODRG Ruben Martinez Buey
[gmx-users] cnvtop in GROMOS96 Ruben Martinez Buey
[gmx-users] Re: cnvtop in GROMOS96 Ruben Martinez Buey
[gmx-users] resolution influence on simulations Ruben Martinez Buey
[gmx-users] resolution influence on simulations Ruben Martinez Buey
[gmx-users] trajectories files Ruben Martinez Buey
[gmx-users] about TMD Christian Burisch
[gmx-users] down load links Ken Chase
[gmx-users] some confusion in location of mpicc during ./configure Ken Chase
[gmx-users] Re: Gromacs - LAM/MPI Ken Chase
[gmx-users] Re: Gromacs - LAM/MPI Ken Chase
[gmx-users] Polymer in periodic boundary conditions again Ester Chiessi
[gmx-users] Polymer in periodic boundary conditions again Ester Chiessi
[gmx-users] Polymer in periodic boundary conditions again Ester Chiessi
[gmx-users] energy terms during minimization Ester Chiessi
[gmx-users] Polymer in periodic boundary conditions again Ester Chiessi
[gmx-users] MD of polymer in pbc Ester Chiessi
[gmx-users] MD of polymer in pbc Ester Chiessi
[gmx-users] MD of polymer in pbc Ester Chiessi
[gmx-users] energy monitoring Ghermes Chilov
[gmx-users] energy monitoring Ghermes Chilov
[gmx-users] Parameters for Mn2+ ions coordinated with carboxylate Nelilma Correia
[gmx-users] GROMACS nucleic acid sim. using GROMOS87 Luke Czapla
[gmx-users] DNA simulation Luke Czapla
[gmx-users] Re: gmx-users digest, Vol 1 #500 - 12 msgs Luke Czapla
[gmx-users] another comment re: pdb2gmx Luke Czapla
[gmx-users] development Luke Czapla
[gmx-users] question about DNA simulation 5'&3' ends Luke Czapla
[gmx-users] Re: gmx-users digest, Vol 1 #506 - 6 msgs Luke Czapla
[gmx-users] auto coorelation function of a dipole David
[gmx-users] g_angle David
[gmx-users] Re: Gromacs - LAM/MPI David
[gmx-users] GROMOS/GROMACS force-field for vibrations. David
[gmx-users] Energy minimization David
[gmx-users] protonation state David
[gmx-users] MPI or parallel EM David
[gmx-users] topology David
[gmx-users] one molecule on more CPU's David
[gmx-users] how to create itps of a ploymer David
[gmx-users] about rtp file David
[gmx-users] How to get standard atomic charges for pyrrole in the OPLS/aa. David
[gmx-users] Help:A question about simulation of NPT System David
[gmx-users] about rtp and pdb David
[gmx-users] how convert PHB file David
[gmx-users] exclude pairs from nb pairlist David
[gmx-users] energy monitoring David
[gmx-users] lam and dual pentium box David
[gmx-users] pme-segmentation fault David
[gmx-users] workaround for PME coulomb energy (fwd) David
[gmx-users] about TMD David
[gmx-users] ibm regatta p690 (power4) / illegal instruction David
[gmx-users] Position restraint problem David
[gmx-users] Position restraint problem David
[gmx-users] free energy and ions David
[gmx-users] about top and mdp David
[gmx-users] How to generate a new .tpr file? David
[gmx-users] About the temperature coupling David
[gmx-users] restaints problem David
[gmx-users] DNA simulation David
[gmx-users] question about DNA simulation 5'&3' ends David
[gmx-users] AMBER to GROMACS convertor sent to Contributions David
[gmx-users] Am I wrong ? David
[gmx-users] number of degrees of freedom Carmen Domene
[gmx-users] temperature using stochastic dynamics Sidney Elmer
[gmx-users] temperature using stochastic dynamics Sidney Elmer
[gmx-users] Scaling on IBM/SP2 Power3 Anton Feenstra
[gmx-users] Scaling on IBM/SP2 Power3 Anton Feenstra
[gmx-users] Amber Force field in Gromacs - implicit solvent Anton Feenstra
[gmx-users] Amber Force field in Gromacs - implicit solvent Anton Feenstra
[gmx-users] parallel minimization broken? Anton Feenstra
[gmx-users] improving cluster performance Anton Feenstra
[gmx-users] Scaling on IBM/SP2 Power3/4 Anton Feenstra
[gmx-users] bad contact distance. Anton Feenstra
[gmx-users] Athlon SSE vs. 3Dnow Anton Feenstra
[gmx-users] protein / bilayer problems Anton Feenstra
[gmx-users] Scaling on IBM/SP2 vs. Linux/AMD Anton Feenstra
[gmx-users] Polymer in periodic boundary conditions again Anton Feenstra
[gmx-users] one molecule on more CPU's Anton Feenstra
[gmx-users] Reference Anton Feenstra
[gmx-users] DNA and GROMACS/GROMOS87 Anton Feenstra
[gmx-users] emtol in a water box K.A. Feenstra
[gmx-users] FEP in sugar K.A. Feenstra
[gmx-users] shell again K.A. Feenstra
[gmx-users] Perplexed about MPI K.A. Feenstra
[gmx-users] shell again K.A. Feenstra
[gmx-users] EM problem K.A. Feenstra
[gmx-users] Re: Gromacs - LAM/MPI K.A. Feenstra
[gmx-users] Athlon SSE vs. 3Dnow K.A. Feenstra
[gmx-users] Polymer in periodic boundary conditions again K.A. Feenstra
[gmx-users] Scaling on IBM/SP2 vs. Linux/AMD K.A. Feenstra
[gmx-users] how to create itps of a ploymer K.A. Feenstra
[gmx-users] one molecule on more CPU's K.A. Feenstra
[gmx-users] ffgmx: CH2-CH2 Dihedral K.A. Feenstra
[gmx-users] Polymer in periodic boundary conditions again K.A. Feenstra
[gmx-users] Vacum minimizations and references K.A. Feenstra
[gmx-users] Parameters for Mn2+ ions coordinated with carboxylate K.A. Feenstra
[gmx-users] about rtp and pdb K.A. Feenstra
[gmx-users] lam and dual pentium box K.A. Feenstra
[gmx-users] Re: Problem with pdb2gmx K.A. Feenstra
[gmx-users] MD of polymer in pbc K.A. Feenstra
[gmx-users] MD of polymer in pbc K.A. Feenstra
[gmx-users] GROMACS nucleic acid sim. using GROMOS87 K.A. Feenstra
[gmx-users] workaround for PME coulomb energy (fwd) K.A. Feenstra
[gmx-users] MPI: MPI_COMM_WORLD rank 1 has terminated without calling MPI_Finalize() Wei Fu
[gmx-users] parallel minimization broken? Wei Fu
[gmx-users] protonation state Wei Fu
[gmx-users] MPI or parallel EM Wei Fu
[gmx-users] ask for help: what kind of lipid is appropriate for dopamine receptor Wei Fu
[gmx-users] Re: ask for help: what kind of lipid is appropriate for dopamine receptor Wei Fu
[gmx-users] Re: about ffgmxnb.itp and lipid.itp (nanyu101) Wei Fu
[gmx-users] CHelpG charge for Fe Valentin Gogonea
[gmx-users] use of g_hbond Valentin Gogonea
[gmx-users] ego2xtc Bert de Groot
[gmx-users] ego2xtc Bert de Groot
[gmx-users] trajectories files Bert de Groot
[gmx-users] pme-segmentation fault Juntao Guo
[gmx-users] Re-PME Juntao Guo
[gmx-users] need help with mdrun Dodi Heryadi
[gmx-users] temperature using stochastic dynamics Berk Hess
[gmx-users] about top and mdp Mengjuei Hsieh
[gmx-users] genbox Marco Kalweit
[gmx-users] genbox John Kerrigan
[gmx-users] DNA and GROMACS/GROMOS87 John Kerrigan
[gmx-users] Gromacs and DNA John Kerrigan
[gmx-users] shell again Dmitry Kovalsky
[gmx-users] shell again Dmitry Kovalsky
[gmx-users] improving cluster performance Dmitry Kovalsky
[gmx-users] Re: imporving cluster performance Dmitry Kovalsky
[gmx-users] Gromacs and DNA Patrick Ladam
[gmx-users] octahedron box Barna Laszlo
[gmx-users] down load links Erik Lindahl
[gmx-users] down load links Erik Lindahl
[gmx-users] down load links Erik Lindahl
[gmx-users] some confusion in location of mpicc during ./configure Erik Lindahl
[gmx-users] Membrane Generating Algorithms and Tools Erik Lindahl
[gmx-users] Amber Force field in Gromacs - implicit solvent Erik Lindahl
[gmx-users] implicit solvent Erik Lindahl
[gmx-users] HTTP-based access to ftp files Erik Lindahl
[gmx-users] implicit solvent Erik Lindahl
[gmx-users] implicit solvent Erik Lindahl
[gmx-users] protonation state Erik Lindahl
[gmx-users] topology Erik Lindahl
[gmx-users] Athlon SSE vs. 3Dnow Erik Lindahl
[gmx-users] ffgmx: CH2-CH2 Dihedral Erik Lindahl
[gmx-users] ffgmx: CH2-CH2 Dihedral Erik Lindahl
[gmx-users] MMFF Erik Lindahl
[gmx-users] one molecule on more CPU's Erik Lindahl
[gmx-users] A problem about the simulation of lipid bilayer! Erik Lindahl
[gmx-users] need help with mdrun Erik Lindahl
[gmx-users] energy monitoring Erik Lindahl
[gmx-users] lam and dual pentium box Erik Lindahl
[gmx-users] GROMACS. Erik Lindahl
[gmx-users] energy monitoring Erik Lindahl
[gmx-users] ibm regatta p690 (power4) / illegal instruction Erik Lindahl
[gmx-users] Itanium 2 Erik Lindahl
[gmx-users] please, no large attachments?? Erik Lindahl
[gmx-users] development Erik Lindahl
[gmx-users] ffgmx forcefield with Br and I Pedro Alexandre Lapido Loureiro
[gmx-users] exclude pairs from nb pairlist Pedro Alexandre Lapido Loureiro
[gmx-users] About the temperature coupling Pedro Alexandre Lapido Loureiro
[gmx-users] about TMD Xiaomin Luo
[gmx-users] Re: Pulling Code Justin MacCallum
[gmx-users] AFM-pulling Frauke Meyer
[gmx-users] Am I wrong ? Nicolas Michel
[gmx-users] Membrane Generating Algorithms and Tools Tivadar Orban
[gmx-users] scaling non-bonded interactions between groups Chris Page
[gmx-users] sigle precision ??? G. Papadopoulos
[gmx-users] single precision ??? G. Papadopoulos
[gmx-users] Membrane Generating Algorithms and Tools Xavier Periole
[gmx-users] ask for help: what kind of lipid is appropriate for dopamine receptor Xavier Periole
[gmx-users] Vacum minimizations and references Xavier Periole
[gmx-users] GROMOS/GROMACS force-field for vibrations. Nguyen Hoang Phuong
[gmx-users] bad contact distance. Nguyen Hoang Phuong
[gmx-users] bad contact distance. Nguyen Hoang Phuong
[gmx-users] MMFF Nguyen Hoang Phuong
[gmx-users] GROMACS. Nguyen Hoang Phuong
[gmx-users] (no subject) Nguyen Hoang Phuong
[gmx-users] (no subject) Nguyen Hoang Phuong
[gmx-users] implicit solvent Stefano Piana
[gmx-users] amber to gromacs converter Stefano Piana
[gmx-users] AMBER to GROMACS convertor sent to Contributions Filip Ryjácek
[gmx-users] down load links Dr. Y. U. Sasidhar
[gmx-users] down load links Dr. Y. U. Sasidhar
[gmx-users] down load links Y. U. Sasidhar
[gmx-users] how to view the .xvg Y. U. Sasidhar
[gmx-users] Re: Re: lam and dual pentium box Simon Schirm
[gmx-users] Scaling on IBM/SP2 vs. Linux/AMD Alan Wilter Sousa da Silva
[gmx-users] Scaling on Compaq ES45 Alan Wilter Sousa da Silva
[gmx-users] Groups (Protein vs. Protein) Alan Wilter Sousa da Silva
[gmx-users] Groups (Protein vs. Protein) Alan Wilter Sousa da Silva
[gmx-users] free energy and ions Alan Wilter Sousa da Silva
[gmx-users] free energy and ions Alan Wilter Sousa da Silva
[gmx-users] octane slab help J Simms
[gmx-users] Re: DNA and GROMACS/GROMOS87 Graham Smith
[gmx-users] Re: about make_hole Graham Smith
[gmx-users] Re: animating normal modes Graham Smith
[gmx-users] MDP David van der Spoel
[gmx-users] Scaling on IBM/SP2 Power3 David van der Spoel
[gmx-users] Scaling on IBM/SP2 Power3 David van der Spoel
[gmx-users] parallel minimization broken? David van der Spoel
[gmx-users] number of degrees of freedom David van der Spoel
[gmx-users] implicit solvent David van der Spoel
[gmx-users] EM problem David van der Spoel
[gmx-users] improving cluster performance David van der Spoel
[gmx-users] bad contact distance. David van der Spoel
[gmx-users] Athlon SSE vs. 3Dnow David van der Spoel
[gmx-users] Groups (Protein vs. Protein) David van der Spoel
[gmx-users] still seg faults with the beta on Mac OSX G4 David van der Spoel
[gmx-users] scaling non-bonded interactions between groups David van der Spoel
[gmx-users] energy terms during minimization David van der Spoel
[gmx-users] MD of polymer in pbc David van der Spoel
[gmx-users] MD of polymer in pbc David van der Spoel
[gmx-users] Re-PME David van der Spoel
[gmx-users] single precision ??? David van der Spoel
[gmx-users] resolution influence on simulations David van der Spoel
[gmx-users] help for use the gromacs analysis tools David van der Spoel
[gmx-users] (no subject) David van der Spoel
[gmx-users] re: help for gromacs tools David van der Spoel
[gmx-users] octane slab help David van der Spoel
[gmx-users] trajectories files David van der Spoel
[gmx-users] octahedron box David van der Spoel
[gmx-users] Problem reading tpr-file David van der Spoel
[gmx-users] Vacum minimizations and references Tanos
[gmx-users] Reference Tanos
[gmx-users] How to generate a new .tpr file? Anu Tervo
[gmx-users] Itanium 2 Peter Tieleman
[gmx-users] temperature using stochastic dynamics Alessandra Villa
[gmx-users] questions about PRODRG Daan Virtual
[gmx-users] cnvtop in GROMOS96 Daan Virtual
[gmx-users] resolution influence on simulations Daan Virtual
[gmx-users] resolution influence on simulations Daan Virtual
[gmx-users] xmgrace Dallas Warren
[gmx-users] g_angle Dallas Warren
[gmx-users] g_angle Dallas Warren
[gmx-users] ffgmx: CH2-CH2 Dihedral Dallas Warren
[gmx-users] ffgmx: CH2-CH2 Dihedral Dallas Warren
[gmx-users] Scaling on Compaq ES45 Dallas Warren
[gmx-users] Scaling on Compaq ES45 Dallas Warren
[gmx-users] Vacum minimizations and references Dallas Warren
[gmx-users] g_cluster Dallas Warren
[gmx-users] g_cluster Dallas Warren
[gmx-users] Problems with gmx 3.0.3 Tsjerk Wassenaar
[gmx-users] on direction of pull.ppa Erik Wensink
[gmx-users] ibm regatta p690 (power4) / illegal instruction Erik Wensink
[gmx-users] Itanium 2 Erik Wensink
[gmx-users] ibm regatta p690 (power4) / illegal instruction Erik Wensink
[gmx-users] auto coorelation function of a dipole Ruhong Zhou
[gmx-users] Pulling code alicia at biof.ufrj.br
[gmx-users] MDP kia balali
[gmx-users] help for use the gromacs analysis tools bxiong
[gmx-users] re: help for gromacs tools bxiong
[gmx-users] please, no large attachments?? Bert Groot de
[gmx-users] protein / bilayer problems jxs818 at bham.ac.uk
[gmx-users] lipid.itp for gromos96 jxs818 at bham.ac.uk
[gmx-users] About the temperature coupling llshen
[gmx-users] atom's charges for rtp file. nanyu101
[gmx-users] about rtp and pdb nanyu101
[gmx-users] how convert PHB file nanyu101
[gmx-users] about pdb format nanyu101
[gmx-users] about ffgmxnb.itp and lipid.itp nanyu101
[gmx-users] about make_hole nanyu101
[gmx-users] about top and mdp nanyu101
[gmx-users] about top and mdp nanyu101
[gmx-users] question about running grompp nanyu101
[gmx-users] mdp again nanyu101
[gmx-users] Help:A question about simulation of NPT System pqchen at eyou.com
[gmx-users] How to get standard atomic charges for pyrrole in the OPLS/aa. pqchen at eyou.com
[gmx-users] Re:gmx-users digest, Vol 1 #484 - 14 msgs pqchen at eyou.com
[gmx-users] (no subject) pqchen at eyou.com
[gmx-users] exclude pairs from nb pairlist quantix1 at gmx.de
[gmx-users] restaints problem quantix1 at gmx.de
[gmx-users] Re: Pulling Code zhang ray
[gmx-users] how to view the .xvg zhang ray
[gmx-users] Problem reading tpr-file runeberg at csc.fi
[gmx-users] EM problem sgaray at fbcb.unl.edu.ar
[gmx-users] problem with dmso as solvent prakash sista
[gmx-users] different notation for S atoms in different files prakash sista
[gmx-users] lam and dual pentium box sschirm at student.ethz.ch
[gmx-users] ffgmx forcefield with Br and I alexander yakovenko

Last message date: Sat Nov 30 22:35:43 CET 2002
Archived on: Sun May 9 01:28:08 CET 2004

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