March 2004 Archives by date

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Starting: Mon Mar 1 01:17:01 CET 2004
Ending: Wed Mar 31 20:23:01 CEST 2004
Messages: 481

[gmx-users] g_cluster ltchong at stanford.edu
[gmx-users] [PATCH] broken configuration of all-static Donnie Berkholz
[gmx-users] [PATCH] broken configuration of all-static Erik Lindahl
[gmx-users] [Help!] A mystery in x2top! Yinghong
[gmx-users] from beginners: how to center? Mr.wolf_79
[gmx-users] from beginners: how to center? Tsjerk Wassenaar
[gmx-users] small charge with PME Itamar Kass
[gmx-users] config of gromacs on windows pc John Kerrigan
[gmx-users] surface normal direction of a membrane potential Markus O Kaukonen
[gmx-users] Charge calcn Anton Feenstra
[gmx-users] gromacs ff Kay Gottschalk
[gmx-users] Patch for AMD Athlon TAPO (Thomas Agersten Poulsen)
[gmx-users] Patch for AMD Athlon Marc Lensink
[gmx-users] Patch for AMD Athlon Erik Lindahl
[gmx-users] GROMACS on a parallel Linux cluster Peter Spijker
[gmx-users] GROMACS on a parallel Linux cluster Ilya Chorny
[gmx-users] GROMACS on a parallel Linux cluster Peter Spijker
[gmx-users] A question on using g_density for electron densities. Hwankyu Lee
[gmx-users] A question on using g_density for electron densities. Zhen Qin
[gmx-users] question of {$gmxdir}/share/top/specbond.dat Zhen Qin
[gmx-users] GROMACS on a parallel Linux cluster Erik Lindahl
[gmx-users] A question on using g_density for electron densities. Hwankyu Lee
[gmx-users] A question on using g_density for electron densities. Zhen Qin
[gmx-users] small charge with PME Dallas Warren
[gmx-users] g_rdf gives odd results that don't add up? Ben Roberts
[gmx-users] small charge with PME Itamar Kass
[gmx-users] (no subject) F JH
[gmx-users] Test suite failures Ross Nobes
[gmx-users] Test suite failures David van der Spoel
[gmx-users] leukotriene FF parameters Raghu Prasad Rao, Metpally
[gmx-users] Compilation problems for 3.2.1 Ross Nobes
[gmx-users] Compilation problems for 3.2.1 Erik Lindahl
[gmx-users] About g_rmsf and glycine Alan Wilter Sousa da Silva
[gmx-users] About g_rmsf and glycine Alan Wilter Sousa da Silva
[gmx-users] Compilation problems for 3.2.1 Ross Nobes
[gmx-users] Residue problem in DNA Anton Feenstra
[gmx-users] Test suite failures Ross Nobes
[gmx-users] running demo with gmx 3.2 Valentin Gogonea
[gmx-users] renicing / setting priorities under windows Michael Brunsteiner
[gmx-users] fatal error: xtc error Madhuri Agashe
[gmx-users] fatal error: xtc error Marcos Villarreal
[gmx-users] renicing / setting priorities under windows Christian Burisch
[gmx-users] renicing / setting priorities under windows Erik Lindahl
[gmx-users] renicing / setting priorities under windows Peter Zoon
[gmx-users] units in g_sas Madhuri Agashe
[gmx-users] template.c Ilya Chorny
[gmx-users] adding ions with genbox Tyler Luchko
[gmx-users] template.c Ilya Chorny
[gmx-users] template.c Erik Lindahl
[gmx-users] adding ions with genbox David van der Spoel
[gmx-users] surface normal direction of a membrane potential David van der Spoel
[gmx-users] Help!! Large VCM(group rest): Linda
[gmx-users] [Help!] A mystery in x2top! David van der Spoel
[gmx-users] Help!! Large VCM(group rest): David van der Spoel
[gmx-users] A question on using g_density for electron densities. Hwankyu Lee
[gmx-users] units in g_sas Dallas Warren
[gmx-users] Re: Help!! Large VCM(group rest): (David van der Spoel) Linda
[gmx-users] A question on using g_density for electron densities. Hwankyu Lee
[gmx-users] compiling gromacs-3.2.1 F Jiang
[gmx-users] units in g_sas Madhuri Agashe
[gmx-users] units in g_sas Dallas Warren
[gmx-users] compiling gromacs-3.2.1 Dallas Warren
[gmx-users] units in g_sas Madhuri Agashe
[gmx-users] units in g_sas Dallas Warren
[gmx-users] renicing / setting priorities under windows Peter Zoon
[gmx-users] To overwrite the earilier version~ F JH
[gmx-users] A question on using g_density for electron densities. David van der Spoel
[gmx-users] Help!! Large VCM(group rest): Tsjerk Wassenaar
[gmx-users] frozen group in pressure coupling qiao rui
[gmx-users] units in g_sas Madhuri Agashe
[gmx-users] problems installing gromacs on itanium2 with HP-UX with double precision Fernando Cerviño
[gmx-users] Bug in g_sgangle 3.2.1 ? Oliver Lange
[gmx-users] problem with downloaded lipid bilayer Carl-Johan Högberg
[gmx-users] Cobalt in Gromacs Anthony Ivetac
[gmx-users] problem with downloaded lipid bilayer David van der Spoel
[gmx-users] frozen group in pressure coupling David van der Spoel
[gmx-users] problem with downloaded lipid bilayer Carl-Johan Högberg
[gmx-users] RE:problem with downloaded lipid bilayer John Simms
[gmx-users] Re: Cobalt in Gromacs Ing. Vojtěch Spiwok
[gmx-users] RE:problem with downloaded lipid bilayer Carl-Johan Högberg
[gmx-users] RE:problem with downloaded lipid bilayer Tsjerk Wassenaar
[gmx-users] RE:problem with downloaded lipid bilayer Carl-Johan Högberg
[gmx-users] re:surface normal direction Markus O Kaukonen
[gmx-users] re:surface normal direction Berk Hess
[gmx-users] dihedral restraints Lakshmi Padmavathi
[gmx-users] mdrun, Segmentation Error Farshid Mostowfi
[gmx-users] Implicit Solvent Ilya Chorny
[gmx-users] Implicit Solvent Erik Lindahl
[gmx-users] RE:problem with downloaded lipid bilayer Dallas Warren
[gmx-users] Alchemical Tranfermation Ilya Chorny
[gmx-users] Changing Dielectric constant Gaurav Porwal
[gmx-users] Changing Dielectric constant Andreas Kukol
[gmx-users] Changing Dielectric constant Marc Baaden
[gmx-users] Changing Dielectric constant Erik Lindahl
[gmx-users] Cobalt in Gromacs Alexandre Suman de Araujo
[gmx-users] carbohydrate parameters barrett
[gmx-users] carbohydrate parameters hugo verli
[gmx-users] fatal error: xtc error Madhuri Agashe
[gmx-users] stability of the simulation Dmitry Kovalsky
[gmx-users] stability of the simulation Ilya Chorny
[gmx-users] switch Ilya Chorny
[gmx-users] switch Ilya Chorny
[gmx-users] ffgmx.n2t format Dr. Ramón Garduño-Juárez
[gmx-users] Re: Re: rerun of trajectory how to deal with the huge .trr file? wang chuanming
[gmx-users] Re: Re: rerun of trajectory how to deal with the huge .trr file? wang chuanming
[gmx-users] editconf and genbox Li Xiaoyi
[gmx-users] Re: gmx-users digest, Vol 1 #1313 - 14 msgs Dmitry Kovalsky
[gmx-users] visualization of eigenvectors Dmitry Kovalsky
[gmx-users] editconf and genbox Mario Orsi
[gmx-users] Re: gmx-users digest, Vol 1 #1313 - 14 msgs Ilya Chorny
[gmx-users] editconf and genbox Shuaib Shahid
[gmx-users] editconf and genbox Shuaib Shahid
[gmx-users] bug in mdrun::::anomaly in final structure Shuaib Shahid
[gmx-users] Segmentation fault!!] Eric Jakobsson
[gmx-users] umbrella sampling questions Marc Baaden
[gmx-users] visualization of eigenvectors Bert de Groot
[gmx-users] changes & bugfixes Pim Schravendijk
[gmx-users] stability of the simulation Dmitry Kovalsky
[gmx-users] Re: gmx-users digest, Vol 1 #1313 - 14 msgs Dmitry Kovalsky
[gmx-users] visualization of eigenvectors Dmitry Kovalsky
[gmx-users] fnbd.c - compile errors for gromacs 3.2 and 3.2.1 Thomas Veith
[gmx-users] stability of the simulation Erik Lindahl
[gmx-users] fnbd.c - compile errors for gromacs 3.2 and 3.2.1 Erik Lindahl
[gmx-users] Re: Re: rerun of trajectory how to deal with the huge .trr file? Dallas Warren
[gmx-users] Re: Re: rerun of trajectory how to deal with the huge .trr file? Nuno R. L. Ferreira
[gmx-users] simulated annealing davide.ruffoni
[gmx-users] water density sadhna
[gmx-users] problem with Cesium parinald at unsl.edu.ar
[gmx-users] water handling Ken Rotondi
[gmx-users] water handling Nguyen Hoang Phuong
[gmx-users] Cobalt in Gromacs Anthony Ivetac
[gmx-users] mdrun, Segmentation Error Farshid Mostowfi
[gmx-users] Energy of a Protein Structure Gaurav Porwal
[gmx-users] water handling Ken Rotondi
[gmx-users] Extracting energy from trajectory file Sandeep Somani
[gmx-users] water handling Nguyen Hoang Phuong
[gmx-users] Fatal error, please help Hua Wong
[gmx-users] Fatal error, please help David van der Spoel
[gmx-users] Fatal error, please help (2) Hua Wong
[gmx-users] scaling on xeons Y U Sasidhar
[gmx-users] number of contact Li Xiaoyi
[gmx-users] Monitoring E-field Vincent Lemaitre
[gmx-users] lam 7.0.4 Y U Sasidhar
[gmx-users] restarting jobs Marc Vogt
[gmx-users] about the origin of parameters in lipid.itp Luca Mollica
[gmx-users] Cobalt in Gromacs Alexandre Suman de Araujo
[gmx-users] restarting jobs Martina Bertsch, PhD
[gmx-users] pulling more groups Robert Vacha
[gmx-users] huge fluctuation about potential energy: can I reduce it? Lixian Zhang
[gmx-users] How to make ADP parameters Zhiguo Liu
[gmx-users] number of contact2--please help Li Xiaoyi
[gmx-users] mpicc build problems - /usr/bin/ld: BFD 2.11.93.0.2 20020207 assertion fail elf-strtab.c:262 Cliff Addison
[gmx-users] Re: restarting jobs Linda
[gmx-users] Re: restarting jobs, again Linda
[gmx-users] mpicc build problems - /usr/bin/ld: BFD 2.11.93.0.2 20020207 assertion fail elf-strtab.c:262 Erik Lindahl
[gmx-users] aggregation Raghunadha Reddy Burri
[gmx-users] More than 99999 atom Ing. Vojtěch Spiwok
[gmx-users] Re: aggregation Raghunadha Reddy Burri
[gmx-users] Re: restarting jobs Martina Bertsch, PhD
[gmx-users] More than 99999 atom Erik Lindahl
[gmx-users] Re: restarting jobs Marc Vogt
[gmx-users] Re: restarting jobs Marc Vogt
[gmx-users] umbrella sampling Pedro Alexandre Lapido Loureiro
[gmx-users] hydroxy oxygen in lipid medeawan at sohu.com
[gmx-users] hydroxy oxygen in lipid medeawan at sohu.com
[gmx-users] Gromacs force field with phosphorylated residues modeled Zhiguo Liu
[gmx-users] lam 7.0.4 Anton Feenstra
[gmx-users] scaling on xeons Anton Feenstra
[gmx-users] Fatal error, please help (2) Anton Feenstra
[gmx-users] Re: aggregation SANTINI sebastien
[gmx-users] scaling on xeons David van der Spoel
[gmx-users] Fatal error, please help (2) Hua Wong
[gmx-users] ions, reaction field, integration step Santi Esteban Martin
[gmx-users] dipolar moment Ruben Martinez Buey
[gmx-users] compiling 3.2(.1) with --disable-nice Pim Schravendijk
[gmx-users] coordinate file with charges Andrea Hombrecher
[gmx-users] coordinate file with charges Marcos Villarreal
[gmx-users] Re: restarting jobs Wei Fu
[gmx-users] Re: aggregation Raghunadha Reddy Burri
[gmx-users] .xtc file not portable? Jee E Rim
[gmx-users] .xtc file not portable? Erik Lindahl
[gmx-users] Re:.xtc file not portable? Jee E Rim
[gmx-users] .xtc file not portable? Y U Sasidhar
[gmx-users] water resident time neda mirsamadi
[gmx-users] Why does total energy fall down?? Ane Xu
[gmx-users] Charmm parameter Keta Jones
[gmx-users] Re:.xtc file not portable? Nuno Ricardo Loureiro Ferreira
[gmx-users] condensing Derrick Guang Yuh Lee
[gmx-users] (no subject) Mungikar, Amol Arvind (UMR-Student)
[gmx-users] density sadhna
[gmx-users] ADP topology parameter Zhiguo Liu
[gmx-users] About ADP Zhiguo Liu
[gmx-users] pressure scaling sadhna
[gmx-users] pressure scaling Ilya Chorny
[gmx-users] RE: Ilya Chorny
[gmx-users] RE: Mungikar, Amol Arvind (UMR-Student)
[gmx-users] pressure scaling Mungikar, Amol Arvind (UMR-Student)
[gmx-users] pressure scaling sadhna
[gmx-users] density Dallas Warren
[gmx-users] Why does total energy fall down?? Dallas Warren
[gmx-users] condensing Dallas Warren
[gmx-users] dipolar moment Dallas Warren
[gmx-users] water density Eric Jakobsson
[gmx-users] Daer All , Could you give me an example for AFM pulling ? 王焰增
[gmx-users] input for membrane Carl-Johan Högberg
[gmx-users] dihedral restraints Lakshmi Padmavathi
[gmx-users] dihedral restraints David van der Spoel
[gmx-users] MD Simulation/Gromacs -course material Anu Tervo
[gmx-users] mpicc build problems - /usr/bin/ld: BFD 2.11.93.0.2 Cliff Addison
[gmx-users] ADP topology parameter Daan van Aalten
[gmx-users] About ADP Daan van Aalten
[gmx-users] pulling more groups Mario Orsi
[gmx-users] ADP topology parameter Ruben Martinez Buey
[gmx-users] Problems for restarting a job after 10ns run Yuhua Song
[gmx-users] Problems for restarting a job after 10ns run tamara-frembgenkesner at uiowa.edu
[gmx-users] Problems for restarting a job after 10ns run Yuhua Song
[gmx-users] ADP topology parameter Zhiguo Liu
[gmx-users] PME sadhna
[gmx-users] PME Ran Friedman
[gmx-users] Solvation Free Energy using PME Ilya Chorny
[gmx-users] mean squared deviation of com Patel Ronak Y
[gmx-users] mean squared deviation of com David van der Spoel
[gmx-users] PME or RF: ions Santi Esteban Martin
[gmx-users] Solvation Free Energy using PME Nagy, Peter I.
[gmx-users] PME Michael Brunsteiner
[gmx-users] md simulation crashes with timestep higher than 0.1ps Bamidele Adisa
[gmx-users] md simulation crashes with timestep higher than 0.1ps David van der Spoel
[gmx-users] PME Ran Friedman
[gmx-users] switching function and NPT Ilya Chorny
[gmx-users] G_MINDIST Question Anthony Ivetac
[gmx-users] PME sadhna
[gmx-users] G_MINDIST Question David
[gmx-users] targeted molecular dynamics Ruben Martinez Buey
[gmx-users] Re: md simulation crashes with timestep higher than Bamidele Adisa
[gmx-users] Re: md simulation crashes with timestep higher than Zhen Qin
[gmx-users] [Fwd: Segmentation Error] David
[gmx-users] creating topology Ilya Chorny
[gmx-users] Re: md simulation crashes with timestep higher than 0.1ps Bamidele Adisa
[gmx-users] Re: md simulation crashes with timestep higher than 0.1ps David
[gmx-users] Calculate heat capacity Jia-Lin Lo
[gmx-users] Calculate heat capacity Ilya Chorny
[gmx-users] Calculate heat capacity Jia-Lin Lo
[gmx-users] Calculate heat capacity Ilya Chorny
[gmx-users] MD Simulation/Gromacs -course material Osmany Guirola Cruz
[gmx-users] Calculate heat capacity David
[gmx-users] TMD Ruben Martinez Buey
[gmx-users] Re: Segmentation Error Pim Schravendijk
[gmx-users] missing residues Yu Sun (Denis)
[gmx-users] Gold layers Keta Jones
[gmx-users] compressibility chloroform? Peter Zoon
[gmx-users] Gold layers Peter Zoon
[gmx-users] Gold layers Peter Zoon
[gmx-users] Gold layers Keta Jones
[gmx-users] compressibility chloroform? Rainer Boeckmann
[gmx-users] compressibility chloroform? Peter Zoon
[gmx-users] Gold layers Peter Zoon
[gmx-users] Gold layers Keta Jones
[gmx-users] Gold layers David van der Spoel
[gmx-users] missing residues Yu Sun (Denis)
[gmx-users] missing residues Yu Sun (Denis)
[gmx-users] Gromacs 3.2.1 compilation programs on SGI Ran Friedman
[gmx-users] umbrella sampling Ilya Chorny
[gmx-users] missing residues Nuno R. L. Ferreira
[gmx-users] missing residues David
[gmx-users] CNT (.top) and (.gro) files Dr. Ramón Garduño-Juárez
[gmx-users] missing residues Kay Gottschalk
[gmx-users] How to control 1-5 interaction Makoto Yoneya
[gmx-users] How to control 1-5 interaction David van der Spoel
[gmx-users] Gromacs 3.2.1 compilation programs on SGI ran friedman
[gmx-users] Gromacs 3.2.1 compilation programs on SGI Bert de Groot
[gmx-users] Gromacs 3.2.1 compilation programs on SGI ran friedman
[gmx-users] Gromacs 3.2.1 compilation programs on SGI Bert de Groot
[gmx-users] rmsd matrix from g_cluster Dr. Christoph Freudenberger
[gmx-users] rmsd matrix from g_cluster Raghunadha Reddy Burri
[gmx-users] How to specify cpp in Windows and ......? xiaobing tian
[gmx-users] Azo-Parameters Lars Scha"fer
[gmx-users] How to specify cpp in Windows and ......? Nuno R. L. Ferreira
[gmx-users] Opteron-Bug Thomas Veith
[gmx-users] Help Solid layers Keta Jones
[gmx-users] do_dssp with no output! Elena Molteni
[gmx-users] do_dssp with no output! Marc Vogt
[gmx-users] Re: Gold layers David
[gmx-users] Re: Gold layers Keta Jones
[gmx-users] Re: Re: msd of com of bilayer Patel Ronak Y
[gmx-users] Calculate heat capacity Jia-Lin Lo
[gmx-users] Re: Re: msd of com of bilayer David van der Spoel
[gmx-users] Calculate heat capacity David van der Spoel
[gmx-users] Re: Gold layers David van der Spoel
[gmx-users] Buckingham potentials and LJ Stefano Piana
[gmx-users] 1-4 interaction at distance larger than 1 Makoto Yoneya
[gmx-users] rmsd matrix from g_cluster Dr. Christoph Freudenberger
[gmx-users] Occupancy warning Zhiguo Liu
[gmx-users] Occupancy warning David van der Spoel
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] rmsd matrix from g_cluster Raghunadha Reddy Burri
[gmx-users] Pls Guide! ankur gupta
[gmx-users] how do u convert .xvg figures to .eps? Mario Orsi
[gmx-users] Precipitation of small peptides Jorge Hernanez Fernandez
[gmx-users] how do u convert .xvg figures to .eps? Marc Lensink
[gmx-users] how do u convert .xvg figures to .eps? Marcos Villarreal
[gmx-users] How to specify cpp in Windows and ......? xiaobing tian
[gmx-users] how do u convert .xvg figures to .eps? Mario Orsi
[gmx-users] 1-4 interaction at distance larger than 1 Michael Brunsteiner
[gmx-users] how do u convert .xvg figures to .eps? Mario Orsi
[gmx-users] Re: Gold layers Nuno R. L. Ferreira
[gmx-users] Pls Guide! Nuno R. L. Ferreira
[gmx-users] how do u convert .xvg figures to .eps? Marc Lensink
[gmx-users] Re: What is wrong with my .top file? xiaobing tian
[gmx-users] Re: What is wrong with my .top file? Nuno R. L. Ferreira
[gmx-users] question about image Weihua Guo
[gmx-users] question about image David
[gmx-users] Opteron-Bug David
[gmx-users] pH Madhuri Agashe
[gmx-users] Re: xiaobing tian
[gmx-users] Opteron-Bug Erik Lindahl
[gmx-users] question about image Weihua Guo
[gmx-users] Fatal error from mdrun xiaobing tian
[gmx-users] question about image David
[gmx-users] pH calculation kamil at ibmb.uni.wroc.pl
[gmx-users] top file for Gold Keta Jones
[gmx-users] top file for Gold kamil at ibmb.uni.wroc.pl
[gmx-users] g_hbond 3.2 problems Simakov Nikolay
[gmx-users] pH Dallas Warren
[gmx-users] pH Ilya Chorny
Antw: [gmx-users] how do u convert .xvg figures to .eps? Peter Friedel
[gmx-users] pH kamil at ibmb.uni.wroc.pl
Antw: [gmx-users] how do u convert .xvg figures to .eps? David van der Spoel
[gmx-users] pull code: constraint forces davide.ruffoni
[gmx-users] pull code: constraint forces Berk Hess
[gmx-users] pull code: constraint forces davide.ruffoni
[gmx-users] Re: Fatal error from mdrun, again xiaobing tian
[gmx-users] Re: Fatal error from mdrun, again Xavier Periole
[gmx-users] getting started Maria Sabaye Moghaddam
[gmx-users] Still get fatal error from mdrun! xiaobing tian
Wtrlt: Re: Antw: [gmx-users] how do u convert .xvg figures to .eps? Peter Friedel
[gmx-users] Still get fatal error from mdrun! Xavier Periole
Wtrlt: Re: Antw: [gmx-users] how do u convert .xvg figures to .eps? Rainer Boeckmann
[gmx-users] Still get fatal error from mdrun! Nuno R. L. Ferreira
[gmx-users] A question on x, y axis of order parameters (g_order) Hwankyu Lee
[gmx-users] Re: restarting jobs Marc Vogt
[gmx-users] Analysis of data Maria Sabaye Moghaddam
[gmx-users] strange mesage tanos at ime.eb.br
[gmx-users] Analysis of data David
[gmx-users] Re: restarting jobs David
[gmx-users] A question on x, y axis of order parameters (g_order) David
Wtrlt: Re: Antw: [gmx-users] how do u convert .xvg figures to .eps? David
[gmx-users] strange mesage David
[gmx-users] RE: strange mesage Martina Bertsch, PhD
[gmx-users] Posre.itp during pre equilibration statk002 at fiu.edu
[gmx-users] Nuno and Xavier xiaobing tian
[gmx-users] periodic boundary conditions Marc Vogt
[gmx-users] interrupting mdrun; queuing Martina Bertsch, PhD
Antw: Re: Wtrlt: Re: Antw: [gmx-users] how do u convert .xvg figures to.eps? Peter Friedel
Antw: Re: Wtrlt: Re: Antw: [gmx-users] how do u convert .xvg figures to.eps? Peter Friedel
[gmx-users] periodic boundary conditions David van der Spoel
[gmx-users] interrupting mdrun; queuing David van der Spoel
Antw: Re: Wtrlt: Re: Antw: [gmx-users] how do u convert .xvg figures to.eps? David van der Spoel
[gmx-users] Salt Bridge! ankur gupta
[gmx-users] Energy minimisation with TIP4P Ran Friedman
[gmx-users] Salt Bridge! Ran Friedman
[gmx-users] Salt Bridge! Xavier Periole
[gmx-users] Nuno and Xavier Nuno R. L. Ferreira
[gmx-users] pull code: constraint forces Berk Hess
[gmx-users] Re: no altivec support found when compiling on macosx G5 gcc 3.3 Pim Schravendijk
[gmx-users] no altivec support found when compiling on macosx G5 gcc 3.3 Pim Schravendijk
[gmx-users] no altivec support found when compiling on macosx G5 gcc 3.3 Erik Lindahl
[gmx-users] H-bond in UA Henrik Rundgren
[gmx-users] PRODRG atom number limit hugo verli
[gmx-users] H-bond in UA David L. Bostick
[gmx-users] targeted molecular dynamics Ruben Martinez Buey
[gmx-users] PRODRG atom number limit Daan van Aalten
[gmx-users] targeted molecular dynamics Berk Hess
[gmx-users] Re: no altivec support found when compiling on macosx G5 gcc 3.3 Pim Schravendijk
[gmx-users] mdrun_hole Shrivastava, Indira (NIH/NCI)
[gmx-users] Fatal error: Atomtype 'IW' not found! Bamidele Adisa
[gmx-users] interrupting mdrun Martina Bertsch, PhD
[gmx-users] sugar building blocks hugo verli
[gmx-users] Fatal error: Atomtype 'IW' not found! David
[gmx-users] sugar building blocks David
[gmx-users] interrupting mdrun David
[gmx-users] [Help] Water polarizabilty! Yinghong
[gmx-users] How to calculate the number of salt ions? Yinghong
[gmx-users] How to calculate the number of salt ions? Vivek Raut
[gmx-users] [Help] Water polarizabilty! David
[gmx-users] How to calculate the number of salt ions? David
[gmx-users] Problem with energy minimisations using TIP4P Ran Friedman
[gmx-users] Re: PRODRG atom number limit Ing. Vojtěch Spiwok
[gmx-users] interrupting mdrun Berk Hess
[gmx-users] g_order Itamar Kass
[gmx-users] Re: gmx-users digest, Vol 1 #1348 - 5 msgs Kia Balali-Mood
[gmx-users] outputting coordinates in each time frame? hi hello
[gmx-users] outputting coordinates in each time frame? David van der Spoel
[gmx-users] g_rms and pbc Alan Wilter Sousa da Silva
[gmx-users] g_rms and pbc Alan Wilter Sousa da Silva
[gmx-users] g_rms and pbc David van der Spoel
[gmx-users] rolling effect Madhuri Agashe
[gmx-users] cotinu neda mirsamadi
[gmx-users] cotinu David van der Spoel
[gmx-users] renicing under windows, moving frozen atoms, some observations and a question Michael Brunsteiner
[gmx-users] continuerun gold gunaseelan
[gmx-users] Re: mdrun_hole Graham Smith
[gmx-users] Problem With Gromacs on Mac OS 10.2 Chris Ryan
[gmx-users] GROMACS available on VigyaanCD Pratul K. Agarwal
[gmx-users] hydration of bilayer? Carl-Johan Högberg
[gmx-users] GROMACS available on VigyaanCD David
[gmx-users] GROMACS available on VigyaanCD Pratul K. Agarwal
[gmx-users] Counting particles in a particular region Steven Spronk
[gmx-users] Counting particles in a particular region David
[gmx-users] Counting particles in a particular region David L. Bostick
[gmx-users] hydration of bilayer? Marcos Villarreal
[gmx-users] continuerun Tsjerk Wassenaar
[gmx-users] Counting particles in a particular region Oliver Beckstein
[gmx-users] Re: continuerun gold gunaseelan
[gmx-users] how can I get the force field of polyphosphate in Gromos 96 43a2! 吴显辉
[gmx-users] force field for polyphosphate! nanyu101 at sina.com
[gmx-users] force field for polyphosphate! David
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] Planar group (again) Coincon Mathieu
[gmx-users] Normal Modes Dana Dogaru
[gmx-users] Extending an mdrun with trr >2GB Martina Bertsch, PhD
[gmx-users] Extending an mdrun with trr >2GB Peter Zoon
[gmx-users] Extending an mdrun with trr >2GB Martina Bertsch, PhD
[gmx-users] Planar group (again) David
[gmx-users] Extending an mdrun with trr >2GB David
[gmx-users] Extending an mdrun with trr >2GB Martina Bertsch, PhD
[gmx-users] Extending an mdrun with trr >2GB David
[gmx-users] About ADP Eric Jakobsson
[gmx-users] Problem With Gromacs on Mac OS 10.2 Itamar Kass
[gmx-users] Re: continuerun T.A.Wassenaar at chem.rug.nl
[gmx-users] question about g_rmsdist? Lishan Yao
[gmx-users] phosphate ion force field again! nanyu101 at sina.com
[gmx-users] Discussion about packages like dl_poly, moldy, charmm etc.. Keta Jones
[gmx-users] Re: GROMACS available on VigyaanCD Ing. Vojtěch Spiwok
[gmx-users] Gromos force field for DNA and RNA! nanyu101 at sina.com
[gmx-users] Extending an mdrun with trr >2GB Berk Hess
[gmx-users] Atomtype 'C' not found! Raghunadha Reddy Burri
[gmx-users] order parameters Kia Balali-Mood
[gmx-users] order parameters....please ignore previous message Kia Balali-Mood
[gmx-users] pair of amino acid Amol Mungikar
[gmx-users] Re: [gmx-users]Missing disulfide bonds and LINCS Warning! xiaobing tian
[gmx-users] Re: [gmx-users]Missing disulfide bonds and LINCS Warning! xiaobing tian
[gmx-users] Re: [gmx-users]Missing disulfide bonds and LINCS Warning! David
[gmx-users] pair of amino acid David
[gmx-users] Re: [gmx-users]Missing disulfide bonds and LINCS Warning! xiaobing tian
[gmx-users] Re: [gmx-users]Missing disulfide bonds and LINCS Warning! David
[gmx-users] How to edit the specbond.dat file? xiaobing tian
[gmx-users] Obtaining energies from trr files Chng Choon Peng
[gmx-users] Obtaining energies from trr files David
[gmx-users] Obtaining energies from trr files David
[gmx-users] How to edit the specbond.dat file? David
[gmx-users] phosphate ion force field again! nanyu101 at sina.com
[gmx-users] Gromos force field for DNA and RNA! nanyu101 at sina.com
[gmx-users] Obtaining energies from trr files Chng Choon Peng
[gmx-users] RE: phosphate ion force field again! Ing. Vojtěch Spiwok
[gmx-users] RE: phosphate ion force field again! nanyu101 at sina.com
[gmx-users] topol.tpr not found effe_kri at virgilio.it
[gmx-users] Atomtype 'C' not found! David van der Spoel
[gmx-users] How to edit the specbond.dat file? Again xiaobing tian
[gmx-users] topol.tpr not found Nuno R. L. Ferreira
[gmx-users] How to edit the specbond.dat file? Again Dallas Warren
[gmx-users] How to edit the specbond.dat file? Again xiaobing tian
[gmx-users] How to edit the specbond.dat file? Again Dallas Warren
[gmx-users] about Force Field parinald at unsl.edu.ar
[gmx-users] Force Fields and Electrostatics Dallas Warren
[gmx-users] RB potential in 43a1 Patel Ronak Y
[gmx-users] reference simulations? Arvid Soderhall
[gmx-users] Force Fields and Electrostatics David van der Spoel
[gmx-users] It seems that at least one rank invoked some MPI function before invoking MPI_INIT. The only information that I can give is that Li Dawei
[gmx-users] RE: phosphate ion force field again! Ing. Vojtěch Spiwok
[gmx-users] (no subject) Nikita Polyakov
[gmx-users] (no subject) Erik Lindahl
[gmx-users] besides compiling it... xiaobing tian
[gmx-users] besides compiling it... David
[gmx-users] 2 fs time step?? Vivek Raut
[gmx-users] SPC216 bonds?? Vivek Raut
[gmx-users] 2 fs time step?? Erik Lindahl
[gmx-users] Thank you xiaobing tian
[gmx-users] 15-20% tolerance? xiaobing tian
[gmx-users] 15-20% tolerance? David
[gmx-users] Whics is correct coordinate file for enditing? xiaobing tian
[gmx-users] Whics is correct coordinate file for enditing? David

Last message date: Wed Mar 31 20:23:01 CEST 2004
Archived on: Thu Nov 14 12:00:44 CET 2013

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