November 2007 Archives by thread

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Starting: Thu Nov 1 01:10:13 CET 2007
Ending: Fri Nov 30 21:11:15 CET 2007
Messages: 651

• [gmx-users] How compare the simulated structure of the same peptide to the NMR strucutre?   fufengliu at tju.edu.cn
  • [gmx-users] How compare the simulated structure of the same peptide to the NMR strucutre?   Mark Abraham
• [gmx-users] bug energy - continuity md   Mark Abraham
• [gmx-users] editconf -mead   Mark Abraham
• [gmx-users] how are you   zhuliang at tju.edu.cn
  • [gmx-users] how are you   james zhang
  • [gmx-users] how are you   Mark Abraham
• [gmx-users] itp for alamethicin   pragya chohan
  • [gmx-users] itp for alamethicin   Dallas B. Warren
  • [gmx-users] itp for alamethicin   Mark Abraham
• [gmx-users] itp for alamethicin   chris.neale at utoronto.ca
• [gmx-users] quasiharmonic eigenvalue units / Schlitter entropy   David van der Spoel
• [gmx-users] alamethicin error   pragya chohan
  • [gmx-users] alamethicin error   Mark Abraham
    • [gmx-users] alamethicin error   pragya chohan
      • [gmx-users] alamethicin error   Mark Abraham
• [gmx-users] mdrun -rerun and box size bug not fixed?   Michel Cuendet
  • [gmx-users] mdrun -rerun and box size bug not fixed?   David Mobley
    • [gmx-users] mdrun -rerun and box size bug not fixed?   Berk Hess
• [gmx-users] POPC simulation   Moutusi Manna
  • [gmx-users] POPC simulation   Marc F. Lensink
  • [gmx-users] Regarding Box-X Box-Y values from g_energy   Sona Aramyan
• [gmx-users] Regarding Box-X Box-Y values from g_energy   Alan Dodd
  • [gmx-users] Regarding Box-X Box-Y values from g_energy   Sona Aramyan
    • [gmx-users] Regarding Box-X Box-Y values from g_energy   Tsjerk Wassenaar
• [gmx-users] "Specified frame doesn't exist or file not seekable" when using .xtc   Qiao Baofu
  • [gmx-users] "Specified frame doesn't exist or file not seekable" when using .xtc   David van der Spoel
    • [gmx-users] "Specified frame doesn't exist or file not seekable" when using .xtc   Qiao Baofu
      • [gmx-users] "Specified frame doesn't exist or file not seekable" when using .xtc   David van der Spoel
• [gmx-users] *.gro output file being written to inverse   Luciano Costa
  • [gmx-users] *.gro output file being written to inverse   Tsjerk Wassenaar
• [gmx-users] mdrun 3.3.2 crash - gmx_sumi called in serial run with RF   Michel Cuendet
  • [gmx-users] mdrun 3.3.2 crash - gmx_sumi called in serial run with RF   David van der Spoel
• [gmx-users] RE: gmx-users Digest, Vol 43, Issue 1   Ricardo Gobato
• [gmx-users] POPC simulation   chris.neale at utoronto.ca
  • [gmx-users] POPC simulation   Mark Abraham
• [gmx-users] CSDs   syawash Rezaei
  • [gmx-users] CSDs   David van der Spoel
• [gmx-users] Simulating Infinite Nanotube   Patrick Lafond
  • [gmx-users] Simulating Infinite Nanotube   Robert Johnson
    • [gmx-users] Simulating Infinite Nanotube   Patrick Lafond
• [gmx-users] POPC simulation   Chris Neale
• [gmx-users] Node assignment using openmpi for multiple simulations in the same submission script in PBS   himanshu khandelia
  • [gmx-users] Node assignment using openmpi for multiple simulations in the same submission script in PBS   Mark Abraham
    • [gmx-users] Node assignment using openmpi for multiple simulations in the same submission script in PBS   himanshu khandelia
      • [gmx-users] Node assignment using openmpi for multiple simulations in the same submission script in PBS   Mark Abraham
      • [gmx-users] Node assignment using openmpi for multiple simulations in the same submission script in PBS   himanshu khandelia
      • [gmx-users] Node assignment using openmpi for multiple simulations in the same submission script in PBS   Mark Abraham
      • [gmx-users] Node assignment using openmpi for multiple simulations in the same submission script in PBS   himanshu khandelia
• [gmx-users] Energy profiles for 2 separate peptide chains in a simulation box.   Huey Ling Tan
  • [gmx-users] Energy profiles for 2 separate peptide chains in a simulation box.   Mark Abraham
    • [gmx-users] Energy profiles for 2 separate peptide chains in a simulation box.   Huey Ling Tan
      • [gmx-users] Energy profiles for 2 separate peptide chains in a simulation box.   Mark Abraham
• [gmx-users] Re: mdrun -rerun and box size bug not fixed?   Michel Cuendet
  • [gmx-users] Re: mdrun -rerun and box size bug not fixed?   David van der Spoel
• [gmx-users] Problems in energygrps and tc-grps   Huey Ling Tan
  • [gmx-users] Problems in energygrps and tc-grps   Mark Abraham
• [gmx-users] Converting PDB to gromacs (Hydrogen problems)   Craig Schwartz
  • [gmx-users] Converting PDB to gromacs (Hydrogen problems)   Mark Abraham
• [gmx-users] gramicidin A   pragya chohan
  • [gmx-users] gramicidin A   Mark Abraham
    • [gmx-users] gramicidin A   pragya chohan
      • [gmx-users] gramicidin A   Mark Abraham
• [gmx-users] (no subject)   sarbani chattopadhyay
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] g_rdf problem   avinash kumar
  • [gmx-users] g_rdf problem   David van der Spoel
• [gmx-users] Placing a peptide at the air/water interface   OZGE ENGIN
• [gmx-users] Placing a peptide at the air/water interface   OZGE ENGIN
  • [gmx-users] Placing a peptide at the air/water interface   Mark Abraham
• [gmx-users] MSD analysis   Jian Dai
• [gmx-users] Placing a peptide at the air/water interface   OZGE ENGIN
  • [gmx-users] Placing a peptide at the air/water interface   David van der Spoel
• [gmx-users] soft-core and coulomb transformation   bharat v. adkar
  • [gmx-users] soft-core and coulomb transformation   David Mobley
    • [gmx-users] soft-core and coulomb transformation   bharat v. adkar
      • [gmx-users] soft-core and coulomb transformation   David Mobley
      • [gmx-users] soft-core and coulomb transformation   bharat v. adkar
      • [gmx-users] soft-core and coulomb transformation   David Mobley
      • [gmx-users] soft-core and coulomb transformation   bharat v. adkar
      • [gmx-users] soft-core and coulomb transformation   bharat v. adkar
      • [gmx-users] soft-core and coulomb transformation   David Mobley
• [gmx-users] How to calculate total enery of a protein   csreddy at ncbs.res.in
  • [gmx-users] How to calculate total enery of a protein   David van der Spoel
  • [gmx-users] How to calculate total enery of a protein   Mark Abraham
• [gmx-users] Fatal error:Atom index (1) in settles out of bounds (1-0)   willting
  • [gmx-users] Fatal error:Atom index (1) in settles out of bounds (1-0)   Yang Ye
• [gmx-users] gcc problem   余翔
  • [gmx-users] gcc problem   David van der Spoel
• [gmx-users] problem with extended run using grompp   sarbani chattopadhyay
  • [gmx-users] problem with extended run using grompp   Justin A. Lemkul
    • [gmx-users] problem with extended run using grompp   Mark Abraham
• [gmx-users] Problem of mdrun compiled by different gcc version   YuXiang
• [gmx-users] Performing simulation at air/water interface   OZGE ENGIN
  • [gmx-users] Performing simulation at air/water interface   Pedro Alexandre de Araújo Gomes Lapido Loureiro
• [gmx-users] Performing simulation at air/water interface   OZGE ENGIN
  • [gmx-users] Performing simulation at air/water interface   Mark Abraham
• [gmx-users] regarding continuation of a simulation   raghava alapati
  • [gmx-users] regarding continuation of a simulation   Mark Abraham
• [gmx-users] Re: mdrun -rerun and box size bug not fixed?   Michel Cuendet
• [gmx-users] Re: mdrun -rerun and box size bug not fixed?   Michel Cuendet
  • [gmx-users] Re: mdrun -rerun and box size bug not fixed?   Berk Hess
• [gmx-users] protein residue numbering not retained in GROMACS ?   himanshu khandelia
  • [gmx-users] protein residue numbering not retained in GROMACS ?   Mark Abraham
• [gmx-users] problem with waters in protein/membrane simulation   N-J.M. Macaluso
• [gmx-users] Re: mdrun -rerun and box size bug not fixed?   Michel Cuendet
  • [gmx-users] Re: mdrun -rerun and box size bug not fixed?   Berk Hess
• [gmx-users] problem with waters in protein/membrane simulation   Alan Dodd
• [gmx-users] protein/membrane simulation parameters   N-J.M. Macaluso
  • [gmx-users] protein/membrane simulation parameters   Mark Abraham
  • [gmx-users] protein/membrane simulation parameters   Stéphane Téletchéa
• [gmx-users] How can I add hydrogen?   Eudes Fileti
  • [gmx-users] How can I add hydrogen?   Florian Haberl
• [gmx-users] CSDs   jahanshah ashkani
  • [gmx-users] CSDs   David van der Spoel
• [gmx-users] grompp error   jahanshah ashkani
  • [gmx-users] grompp error   Mark Abraham
• [gmx-users] CSDs   jahanshah ashkani
  • [gmx-users] CSDs   David van der Spoel
    • [gmx-users] Help: A ligand covalently bond to protein   Tanping Li
      • [gmx-users] Help: A ligand covalently bond to protein   Yang Ye
      • [gmx-users] Help: A ligand covalently bond to protein   Tanping Li
      • [gmx-users] Help: A ligand covalently bond to protein   Yang Ye
      • [gmx-users] Help: A ligand covalently bond to protein   Mark Abraham
• [gmx-users] Genion: specify minimum distance between counter-ion and solute   Narayanan Veeraraghavan
  • [gmx-users] Genion: specify minimum distance between counter-ion and solute   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 43, Issue 21   Eudes Fileti
• [gmx-users] can not pass gmxtest   Li Qiang
  • [gmx-users] can not pass gmxtest   Mark Abraham
  • [gmx-users] can not pass gmxtest   Yang Ye
    • [gmx-users] can not pass gmxtest   Li Qiang
      • [gmx-users] can not pass gmxtest   Yang Ye
      • [gmx-users] can not pass gmxtest   Li Qiang
      • [gmx-users] can not pass gmxtest   Mark Abraham
• [gmx-users] Installation problem:gcc-g77   Panichakorn Jaiyong
  • [gmx-users] Installation problem:gcc-g77   David van der Spoel
  • [gmx-users] Installation problem:gcc-g77   Mark Abraham
• [gmx-users] Force tolarence   ss aa
  • [gmx-users] Force tolarence   Mark Abraham
• [gmx-users] Protonate and OPLS   Eudes Fileti
  • [gmx-users] Protonate and OPLS   Mark Abraham
• [gmx-users] Doubt Reg. Selection of force field and pdb2gmx program   csreddy at ncbs.res.in
  • [gmx-users] Doubt Reg. Selection of force field and pdb2gmx program   Mark Abraham
• [gmx-users] gmx 3.3.2 explodes with libc.so.6   Dmytro Kovalskyy
  • [gmx-users] gmx 3.3.2 explodes with libc.so.6   David van der Spoel
    • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Dmytro Kovalskyy
      • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Yang Ye
      • [gmx-users] gmx 3.3.2 explodes with libc.so.6   David van der Spoel
      • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Yang Ye
      • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Li Qiang
    • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Dmytro Kovalskyy
• [gmx-users] "cannot compute sizeof (int), 77" on AIX 5.3 PPC p575 (searched the list)   liu xin
  • [gmx-users] "cannot compute sizeof (int), 77" on AIX 5.3 PPC p575 (searched the list)   Mark Abraham
  • [gmx-users] "cannot compute sizeof (int), 77" on AIX 5.3 PPC p575 (searched the list)   Christian Burisch
    • [gmx-users] "cannot compute sizeof (int), 77" on AIX 5.3 PPC p575 (searched the list)   liu xin
• [gmx-users] Where is the GROMOS87 force field when using pdb2gmx   maria goranovic
  • [gmx-users] Where is the GROMOS87 force field when using pdb2gmx   David van der Spoel
  • [gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx   maria goranovic
    • [gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx   David van der Spoel
    • [gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx   maria goranovic
      • [gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx   Erik Lindahl
      • [gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx   himanshu khandelia
      • [gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx   Mark Abraham
      • [gmx-users] Re: Where is the GROMOS87 force field when using pdb2gmx   Patrick Fuchs
• [gmx-users] installation error   pragya chohan
  • [gmx-users] installation error   Mark Abraham
    • [gmx-users] installation error   pragya chohan
      • [gmx-users] installation error   David van der Spoel
• [gmx-users] Re: mdrun -rerun and box size bug not fixed?   Michel Cuendet
  • [gmx-users] Re: mdrun -rerun and box size bug not fixed?   David Mobley
• [gmx-users] combining gromos96 (43a2) and berger lipid force field   maria goranovic
  • [gmx-users] combining gromos96 (43a2) and berger lipid force field   Mark Abraham
• [gmx-users] Sulfate parameters anyone ?   maria goranovic
  • [gmx-users] Sulfate parameters anyone ?   Justin A. Lemkul
• [gmx-users] combining gromos96 (43a2) and berger lipid force field   Alan Dodd
• [gmx-users] box explodes after 13ns   Belquis Mothana
• [gmx-users] Periodic Boundary conditions   Paul Whitford
  • [gmx-users] Periodic Boundary conditions   Berk Hess
• [gmx-users] segmentation fault   vinod kumar
  • [gmx-users] segmentation fault   David van der Spoel
• [gmx-users] fatal error using grompp   karan syal
  • [gmx-users] fatal error using grompp   Mark Abraham
• [gmx-users] Re: mdrun -rerun and box size bug not fixed?   Michel Cuendet
• [gmx-users] How is the particle density of type B computed in g_rdf ?   Grace Li
  • [gmx-users] How is the particle density of type B computed in g_rdf ?   David van der Spoel
• [gmx-users] bonded Buckingham interaction   Frankie Montenegro
  • [gmx-users] bonded Buckingham interaction   David van der Spoel
    • [gmx-users] bonded Buckingham interaction   Frankie Montenegro
      • [gmx-users] bonded Buckingham interaction   David van der Spoel
      • [gmx-users] bonded Buckingham interaction   Berk Hess
• [gmx-users] gmx 3.3.2 explodes with libc.so.6   Bruce Milne
  • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Li Qiang
    • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Yang Ye
  • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Li Qiang
  • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Yang Ye
    • [gmx-users] gmx 3.3.2 explodes with libc.so.6   David van der Spoel
      • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Yang Ye
      • [gmx-users] gmx 3.3.2 explodes with libc.so.6   David van der Spoel
      • [gmx-users] gmx 3.3.2 explodes with libc.so.6   Yang Ye
• [gmx-users] How to set N-terminal lysine carry only +1 unit charge?   Hu Zhongqiao
  • [gmx-users] How to set N-terminal lysine carry only +1 unit charge?   Yang Ye
    • [gmx-users] How to set N-terminal lysine carry only +1 unit charge?   Henry O Ify
      • [gmx-users] How to set N-terminal lysine carry only +1 unit charge?   Yang Ye
• [gmx-users] coordinate files for molecules consisting of new (non-standard) residues   Teresa Silva
  • [gmx-users] coordinate files for molecules consisting of new (non-standard) residues   Mark Abraham
• [gmx-users] mdrun error   pragya chohan
  • [gmx-users] mdrun error   Justin A. Lemkul
    • [gmx-users] mdrun error   pragya chohan
      • [gmx-users] mdrun error   Justin A. Lemkul
      • [gmx-users] mdrun error   pragya chohan
      • [gmx-users] mdrun error   Justin A. Lemkul
      • [gmx-users] mdrun error   pragya chohan
      • [gmx-users] mdrun error   Justin A. Lemkul
      • [gmx-users] mdrun error   Justin A. Lemkul
      • [gmx-users] mdrun error   pragya chohan
      • [gmx-users] mdrun error   Mark Abraham
  • [gmx-users] mdrun error   Mark Abraham
• [gmx-users] Re: How to set N-terminal lysine carry only +1 unit charge?   Hu Zhongqiao
  • [gmx-users] Re: How to set N-terminal lysine carry only +1 unit charge?   Yang Ye
• [gmx-users] genernal problem in simulation   Kitty Ji
  • [gmx-users] genernal problem in simulation   Yang Ye
• [gmx-users] (no subject)   OZGE ENGIN
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] grompp doesn't process topology file of a DNA fragment using ffamber ports for gromacs   jantonioms J. A. Mondragon S
  • [gmx-users] grompp doesn't process topology file of a DNA fragment using ffamber ports for gromacs   Mark Abraham
    • [gmx-users] grompp doesn't process topology file of a DNA fragment using ffamber ports for gromacs   jantonioms J. A. Mondragon S
    • [gmx-users] grompp doesn't process topology file of a DNA fragment using ffamber ports for gromacs   David van der Spoel
• [gmx-users] Ace-Ala-Nac to Ace-Gly-Nac   David Mobley
  • [gmx-users] soft-core and coulomb transformation   bharat v. adkar
    • [gmx-users] soft-core and coulomb transformation   David van der Spoel
    • [gmx-users] soft-core and coulomb transformation   David Mobley
      • [gmx-users] soft-core and coulomb transformation   Berk Hess
      • [gmx-users] soft-core and coulomb transformation   David Mobley
      • [gmx-users] soft-core and coulomb transformation   Berk Hess
      • [gmx-users] soft-core and coulomb transformation   David Mobley
      • [gmx-users] soft-core and coulomb transformation   Berk Hess
      • [gmx-users] soft-core and coulomb transformation   bharat v. adkar
      • [gmx-users] soft-core and coulomb transformation   bharat v. adkar
• [gmx-users] trjorder does not write trajectory file   Dmytro Kovalskyy
  • [gmx-users] trjorder does not write trajectory file   Justin A. Lemkul
    • [gmx-users] trjorder does not write trajectory file   Dmytro Kovalskyy
      • [gmx-users] trjorder does not write trajectory file   Mark Abraham
      • [gmx-users] trjorder does not write trajectory file   Dmytro Kovalskyy
• [gmx-users] Incomplete header: nr 3078 time 9408   Dechang Li
  • [gmx-users] Incomplete header: nr 3078 time 9408   David van der Spoel
• [gmx-users] Re:Re: Incomplete header: nr 3078 time 9408   Dechang Li
  • [gmx-users] Re:Re: Incomplete header: nr 3078 time 9408   Mark Abraham
• [gmx-users] trjorder does not write trajectory file   Justin A. Lemkul
• [gmx-users] (no subject)   dongsheng zhang
  • [gmx-users] (no subject)   Mark Abraham
    • [gmx-users] force=nan in frame 0   dongsheng zhang
      • [gmx-users] force=nan in frame 0   Mark Abraham
      • [gmx-users] force=nan in frame 0   dongsheng zhang
      • [gmx-users] force=nan in frame 0   Yang Ye
• [gmx-users] Parallel run on IBM p575 "poe mpi"   liu xin
  • [gmx-users] Parallel run on IBM p575 "poe mpi"   David van der Spoel
• [gmx-users] widom in Gromacs   Argyrios Karatrantos
  • [gmx-users] widom in Gromacs   Berk Hess
• [gmx-users] Tools for axial symmetry   Eudes Fileti
  • [gmx-users] Tools for axial symmetry   Berk Hess
    • [gmx-users] Tools for axial symmetry   Henry O Ify
• [gmx-users] (no subject)   pragya chohan
• [gmx-users] REMD As A Function of Distance Between 2 Chains   Huey Ling Tan
  • [gmx-users] REMD As A Function of Distance Between 2 Chains   Mu Yuguang (Dr)
    • [gmx-users] stop mailing me   Henry O Ify
      • [gmx-users] stop mailing me   Justin A. Lemkul
      • [gmx-users] stop mailing me   Mark Abraham
      • [gmx-users] stop mailing me   Erik Lindahl
  • [gmx-users] REMD As A Function of Distance Between 2 Chains   Marcus Kubitzki
    • [gmx-users] REMD As A Function of Distance Between 2 Chains   Huey Ling Tan
      • [gmx-users] REMD As A Function of Distance Between 2 Chains   Mark Abraham
      • [gmx-users] REMD As A Function of Distance Between 2 Chains   David van der Spoel
• [gmx-users] QMMM for element with "unknown" forcefield   Tandia, Adama
• [gmx-users] force=nan in frame 0   Dongsheng Zhang
  • [Bulk] Re: [gmx-users] force=nan in frame 0   Yang Ye
• [gmx-users] histidine charges in ffopls.rtp   Marius Retegan
  • [gmx-users] histidine charges in ffopls.rtp   Ran Friedman
  • [gmx-users] histidine charges in ffopls.rtp   Mark Abraham
    • [gmx-users] histidine charges in ffopls.rtp   Marius Retegan
      • [gmx-users] histidine charges in ffopls.rtp   David van der Spoel
  • [gmx-users] stop mailing me   Henry O Ify
• [gmx-users] G_hbond's hydrogen bond ordering?   Danny Neil
• [gmx-users] g-hbond and N acceptors   Michel Cuendet
  • [gmx-users] g-hbond and N acceptors   David van der Spoel
• [gmx-users] Creating .top, .gro, .ndx, .itp files for TIP5Pwater   JMandumpal
  • [gmx-users] Creating .top, .gro, .ndx, .itp files for TIP5Pwater   David van der Spoel
• [gmx-users] Re: gmx-users Digest, Vol 43, Issue 49   Gerrit Groenhof
• [gmx-users] g-hbond and N acceptors   Michel Cuendet
  • [gmx-users] g-hbond and N acceptors   David van der Spoel
• [gmx-users] problems about energy minimization   renying
  • [gmx-users] problems about energy minimization   Mark Abraham
• [gmx-users] g_order in a micelle   Jonathan Khao
  • [gmx-users] g_order in a micelle   David van der Spoel
    • [gmx-users] g_order in a micelle   Jonathan Khao
• [gmx-users] tabulated bonded interactions   Ran Friedman
  • [gmx-users] tabulated bonded interactions   Berk Hess
• [gmx-users] SGI Altix - mdrun_mpi   Nuno Loureiro Ferreira
  • [gmx-users] Re: SGI Altix - mdrun_mpi   Nuno Loureiro Ferreira
• [gmx-users] SGI Altix - mdrun_mpi   Chris Neale
• [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1   Chris Neale
  • [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1   Yang Ye
    • [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1   Li Qiang
      • [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1   David van der Spoel
• [gmx-users] Re: SGI Altix - mdrun_mpi   Chris Neale
• [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1   chris.neale at utoronto.ca
  • [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1   David van der Spoel
  • [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1   Yang Ye
• [gmx-users] REMD As A Function of Distance Between 2 Chains   chiradip chatterjee
• [gmx-users] compilation fails on MAC OSX - Leopard   Hadas Leonov
• [gmx-users] compilation fails on MAC OSX - Leopard   Hadas Leonov
  • [gmx-users] compilation fails on MAC OSX - Leopard   Carsten Kutzner
    • [gmx-users] compilation fails on MAC OSX - Leopard   Hadas Leonov
      • [gmx-users] compilation fails on MAC OSX - Leopard   David van der Spoel
• [gmx-users] Minor Bug in latest stable release update   Maik Goette
  • [gmx-users] Minor Bug in latest stable release update   Berk Hess
• [gmx-users] high pressure simulations   mateusz sikora
  • [gmx-users] high pressure simulations   Mark Abraham
    • [gmx-users] high pressure simulations   Andrés N. McCarthy
  • [gmx-users] high pressure simulations   Ran Friedman
  • [gmx-users] high pressure simulations   Andrés N. McCarthy
• [gmx-users] position restrain   pragya chohan
  • [gmx-users] position restrain   Justin A. Lemkul
    • [gmx-users] position restrain   pragya chohan
• [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1 ccc-6.5.6.002-1   chris.neale at utoronto.ca
• [gmx-users] How to delete bad water molecules   renying
• [gmx-users] How to delete bad water molecules   chris.neale at utoronto.ca
  • [gmx-users] How to delete bad water molecules   David Mobley
• [gmx-users] floating point exception for grompp -e ener.edr on some clusters   chris.neale at utoronto.ca
  • [gmx-users] floating point exception for grompp -e ener.edr on some clusters   David van der Spoel
• [gmx-users] pressure coupling for bilayers   pragya chohan
  • [gmx-users] pressure coupling for bilayers   Xavier Periole
• [gmx-users] G_sas reside area   tangxuan
  • [gmx-users] G_sas reside area   Mark Abraham
• [gmx-users] Differences in the bonded potentials in 3.3.2 vs. 3.3.1   Amadeu
  • [gmx-users] Differences in the bonded potentials in 3.3.2 vs. 3.3.1   David van der Spoel
  • [gmx-users] Differences in the bonded potentials in 3.3.2 vs. 3.3.1   Yang Ye
• [gmx-users] How to delete bad water molecules   Chris Neale
• [gmx-users] out from the simulation box   hhhh huan
  • [gmx-users] out from the simulation box   Mark Abraham
• [gmx-users] interaction energy of bulk TIP3P   sandeep somani
  • [gmx-users] interaction energy of bulk TIP3P   Mark Abraham
    • [gmx-users] interaction energy of bulk TIP3P   sandeep somani
      • [gmx-users] interaction energy of bulk TIP3P   Mark Abraham
• [gmx-users] make hole question   Andrei Neamtu
  • [gmx-users] make hole question   Alok
• [gmx-users] Creating .top, .gro, .ndx, .itp files for TIP5Pwater   JMandumpal
• [gmx-users] Re: Re: Re: [gmx-usersCreating .top, .gro, .ndx, .itp files for TIP5Pwater   JMandumpal
• [gmx-users] Re: Unable to install Mac OS X package   David van der Spoel
• [gmx-users] Differences in the bonded potentials in 3.3.2 vs. 3.3.1   Amadeu
  • [gmx-users] Differences in the bonded potentials in 3.3.2 vs. 3.3.1   David van der Spoel
• [gmx-users] (no subject)   Christopher Stiles
• [gmx-users] CNT Simulation with GROMOS96 43a1 force field   Christopher Stiles
  • [gmx-users] CNT Simulation with GROMOS96 43a1 force field   David van der Spoel
• [gmx-users] How to add calcium ions at desired position?   Peggy Yao
  • [gmx-users] How to add calcium ions at desired position?   Justin A. Lemkul
  • [gmx-users] How to add calcium ions at desired position?   Yang Ye
  • [gmx-users] How to add calcium ions at desired position?   Mark Abraham
• [gmx-users] Extending MD run   Itamar Kass
  • [gmx-users] Extending MD run   Justin A. Lemkul
    • [gmx-users] Extending MD run   Itamar Kass
      • [gmx-users] Extending MD run   Justin A. Lemkul
      • [gmx-users] Extending MD run   Mark Abraham
      • [gmx-users] Extending MD run   Justin A. Lemkul
      • [gmx-users] Extending MD run   Mark Abraham
      • [gmx-users] Extending MD run   Justin A. Lemkul
      • [gmx-users] Extending MD run   Mark Abraham
• [gmx-users] floating point exception for grompp -e ener.edr on some clusters   chris.neale at utoronto.ca
  • [gmx-users] floating point exception for grompp -e ener.edr on some clusters   David van der Spoel
• [gmx-users] How to add calcium ions at desired position?   liang
  • [gmx-users] How to add calcium ions at desired position?   Justin A. Lemkul
    • [gmx-users] How to add calcium ions at desired position?   Peggy Yao
• [gmx-users] Quasiharmonic entropies   Ran Friedman
• [gmx-users] water in lipid bilayer   N-J.M. Macaluso
  • [gmx-users] water in lipid bilayer   Mark Abraham
    • [gmx-users] water in lipid bilayer   N-J.M. Macaluso
  • [gmx-users] water in lipid bilayer   himanshu khandelia
    • [gmx-users] water in lipid bilayer   N-J.M. Macaluso
      • [gmx-users] water in lipid bilayer   himanshu khandelia
• [gmx-users] trjconv does not work!   OZGE ENGIN
• [gmx-users] trjconv does not work   OZGE ENGIN
  • [gmx-users] trjconv does not work   Ran Friedman
  • [gmx-users] trjconv does not work   Xavier Periole
• [gmx-users] trjconv does not work   OZGE ENGIN
  • [gmx-users] trjconv does not work   Ran Friedman
• [gmx-users] trjconv does not work   OZGE ENGIN
• [gmx-users] trjconv does not work   OZGE ENGIN
  • [gmx-users] trjconv does not work   Ran Friedman
• [gmx-users] trjconv does not work   Alan Dodd
• [gmx-users] water in lipid bilayer   Chris Neale
• [gmx-users] MPI configure "cannot compute sizeof (int)"   Chris Borchert
  • [gmx-users] MPI configure "cannot compute sizeof (int)"   Mark Abraham
• [gmx-users] Adding polarizability   Eric Shamay
  • [gmx-users] Adding polarizability   Mark Abraham
  • [gmx-users] Adding polarizability   David van der Spoel
    • [gmx-users] Adding polarizability   David Mobley
      • [gmx-users] Adding polarizability   David van der Spoel
      • [gmx-users] Adding polarizability   David Mobley
• [gmx-users] Creating .ndx for TIP5Pwater   JMandumpal
  • [gmx-users] Creating .ndx for TIP5Pwater   David van der Spoel
  • [gmx-users] Creating .ndx for TIP5Pwater   Mark Abraham
• [gmx-users] Why so many energy minimization and position restrained simulation steps?   Peggy Yao
  • [gmx-users] Why so many energy minimization and position restrained simulation steps?   Mark Abraham
  • [gmx-users] Why so many energy minimization and position restrained simulation steps?   Tsjerk Wassenaar
• [gmx-users] How to specify .mdp file for position restrained simulation?   Peggy Yao
  • [gmx-users] How to specify .mdp file for position restrained simulation?   Mark Abraham
  • [gmx-users] How to specify .mdp file for position restrained simulation?   Maik Goette
    • [gmx-users] How to specify .mdp file for position restrained simulation?   Yang Ye
  • [gmx-users] How to specify .mdp file for position restrained simulation?   jantonioms J. A. Mondragon S
    • [gmx-users] How to specify .mdp file for position restrained simulation?   Mark Abraham
• [gmx-users] problem using makehole grompp   nur avneet
  • [gmx-users] problem using makehole grompp   Xavier Periole
  • [gmx-users] problem using makehole grompp   Mark Abraham
• [gmx-users] Laptop switches off when running GROMACS   Sergio de Alencar
  • [gmx-users] g_sas with 3.3 and 3.3.2 gives different results   Isabella Daidone
    • [gmx-users] g_sas with 3.3 and 3.3.2 gives different results   David van der Spoel
  • [gmx-users] Laptop switches off when running GROMACS   David van der Spoel
    • [gmx-users] Laptop switches off when running GROMACS   Mark Abraham
• [gmx-users] MPI configure "cannot compute sizeof (int)"   Chris Borchert
• [gmx-users] Compiling GROMACS with FORTRAN?   Mike Hanby
• [gmx-users] free energy calculations in charged systems   Argyrios Karatrantos
  • [gmx-users] free energy calculations in charged systems   Maik Goette
    • [gmx-users] free energy calculations in charged systems   Berk Hess
• [gmx-users] Re: Problems with the file 2J3Q.pdb and residue 'TFL'   David van der Spoel
• [gmx-users] Help with energy minimizing protein in water box with CA2+   Peggy Yao
  • [gmx-users] Help with energy minimizing protein in water box with CA2+   David van der Spoel
  • [gmx-users] Help with energy minimizing protein in water box with CA2+   Tsjerk Wassenaar
  • [gmx-users] Help with energy minimizing protein in water box with CA2+   Mark Abraham
• [gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1   chris.neale at utoronto.ca
• [gmx-users] how to get basic trajectory information out trjcat   maria goranovic
  • [gmx-users] how to get basic trajectory information out trjcat   Tsjerk Wassenaar
• [gmx-users] commanf for wrapping   pragya chohan
  • [gmx-users] commanf for wrapping   karan syal
  • [gmx-users] commanf for wrapping   Mark Abraham
• [gmx-users] Simulations on Leopard - slow and crashing, cannot compile with lam-mpi   Hadas Leonov
  • [gmx-users] Simulations on Leopard - slow and crashing, cannot compile with lam-mpi   Hadas Leonov
• [gmx-users] GROMACS in parallel on a multicore PC?   Vasilii Artyukhov
  • [gmx-users] GROMACS in parallel on a multicore PC?   Carsten Kutzner
    • [gmx-users] GROMACS in parallel on a multicore PC?   Vasilii Artyukhov
      • [gmx-users] GROMACS in parallel on a multicore PC?   David van der Spoel
  • [gmx-users] GROMACS in parallel on a multicore PC?   Yang Ye
• [gmx-users] Question about embedding a force field with no torsion term   Bo Zhou
  • [gmx-users] Question about embedding a force field with no torsion term   Mark Abraham
• [gmx-users] molecule of metane   Foh
  • [gmx-users] molecule of metane   Justin A. Lemkul
    • [gmx-users] molecule of metane   foh
      • [gmx-users] molecule of metane   Mark Abraham
• [gmx-users] restart an amber run in gromacs   servaas michielssens
  • [gmx-users] restart an amber run in gromacs   Mark Abraham
    • [gmx-users] restart an amber run in gromacs   David Mobley
      • [gmx-users] restart an amber run in gromacs   Tsjerk Wassenaar
• [gmx-users] gromacs preformance versus amber   servaas michielssens
  • [gmx-users] gromacs preformance versus amber   David van der Spoel
  • [gmx-users] gromacs preformance versus amber   Mark Abraham
• [gmx-users] restart amber run in gromacs   servaas michielssens
• [gmx-users] Re: Question about embedding a force field with no torsion term   Bo Zhou
  • [gmx-users] Re: Question about embedding a force field with no torsion term   Mark Abraham
    • [gmx-users] Re: Question about embedding a force field with no torsion term   Yang Ye
• [gmx-users] floating point exception for grompp -e ener.edr on some clusters   chris.neale at utoronto.ca
  • [gmx-users] floating point exception for grompp -e ener.edr on some clusters   David van der Spoel
• [gmx-users] What is the relationship between simulation time and real time   Q733
  • [gmx-users] What is the relationship between simulation time and real time   Mark Abraham
    • [gmx-users] What is the relationship between simulation time and real time   David van der Spoel
• [gmx-users] What is the relationship between simulation time   Q733
  • [gmx-users] What is the relationship between simulation time   David van der Spoel
• [gmx-users] Re:Re: gromacs preformance versus amber (David van der Spoel)   servaas michielssens
• [gmx-users] NOE distance restraints   Chiara Parravicini
• [gmx-users] Re: gmx-users Digest, Vol 43, Issue 81   servaas michielssens
  • [gmx-users] Re: gmx-users Digest, Vol 43, Issue 81   Mark Abraham
• [gmx-users] Problem in starting make hole   nur avneet
  • [gmx-users] Problem in starting make hole   Mark Abraham
• [gmx-users] problems about trjconv   Di Pan
  • [gmx-users] problems about trjconv   Justin A. Lemkul
• [gmx-users] problem with mdrun performing replica exchange MD   OZGE ENGIN
  • [gmx-users] problem with mdrun performing replica exchange MD   Berk Hess
• [gmx-users] problem with mdrun performing replica exchange MD   OZGE ENGIN
  • [gmx-users] problem with mdrun performing replica exchange MD   Berk Hess
• [gmx-users] energy minimization of a bilayer   Ananya Debnath
  • [gmx-users] energy minimization of a bilayer   Mark Abraham
• [gmx-users] problem with mdrun performing replica exchange MD   OZGE ENGIN
  • [gmx-users] problem with mdrun performing replica exchange MD   David van der Spoel
• [gmx-users] problem with mdrun performing replica exchange MD   OZGE ENGIN
  • [gmx-users] problem with mdrun performing replicaexchange MD   Berk Hess
  • [gmx-users] problem with mdrun performing replica exchange MD   Xavier Periole
    • [gmx-users] problem with mdrun performing replica exchange MD   Xavier Periole
• [gmx-users] regarding .gro file   Ananya Debnath
  • [gmx-users] regarding .gro file   Mu Yuguang (Dr)
  • [gmx-users] regarding .gro file   Mark Abraham
• [gmx-users] problems with gromacs tools under certain compilations   Grace Li
  • [gmx-users] problems with gromacs tools under certain compilations   Mark Abraham
• [gmx-users] asymmetric distribution of water   pragya chohan
  • [gmx-users] asymmetric distribution of water   David van der Spoel
• [gmx-users] Q's about adding bonded interaction   Frankie Montenegro
  • [gmx-users] Q's about adding bonded interaction   Mark Abraham
• [gmx-users] regarding .gro file   Ananya Debnath
  • [gmx-users] regarding .gro file   Mark Abraham
    • [gmx-users] regarding .gro file   Tsjerk Wassenaar
• [gmx-users] intel or gcc for opteron   Myunggi Yi
• [gmx-users] Re: intel or gcc for opteron   Myunggi Yi
  • [gmx-users] Re: intel or gcc for opteron   David van der Spoel
    • [gmx-users] Re: intel or gcc for opteron   Myunggi Yi
      • [gmx-users] Re: intel or gcc for opteron   David van der Spoel
      • [gmx-users] Re: intel or gcc for opteron   Myunggi Yi
      • [gmx-users] Re: intel or gcc for opteron   David van der Spoel
• [gmx-users] Neutralizing the total charge of the system in vacuum   OZGE ENGIN
  • [gmx-users] Neutralizing the total charge of the system in vacuum   Ran Friedman, Biochemisches Inst.
    • [gmx-users] Neutralizing the total charge of the system in vacuum   David van der Spoel
• [gmx-users] Semiisotropic pressure coupling & comm_grps (VCM)   Alok
• [gmx-users] CNT Carbon Nanotube simulation with the GROMOS96 43a1 force field   Christopher Stiles
• [gmx-users] area by lipid   maite lopez cabezas
  • [gmx-users] area by lipid   Mark Abraham
    • [gmx-users] area by lipid   maite lopez cabezas
• [gmx-users] area by lipid   Alan Dodd
  • [gmx-users] area by lipid   maite lopez cabezas
• [gmx-users] area by lipid   Alan Dodd
• [gmx-users] how to write the correct top file for membrane protein system?   liang
  • [gmx-users] how to write the correct top file for membrane protein system?   Justin A. Lemkul
    • [gmx-users] how to write the correct top file for membrane protein system?   liang
      • [gmx-users] how to write the correct top file for membraneprotein system?   Hadas Leonov
      • [gmx-users] how to write the correct top file for membraneprotein system?   liang
      • [gmx-users] how to write the correct top file for membraneprotein system?   Hadas Leonov
      • [gmx-users] how to write the correct top file for membraneprotein system?   Mark Abraham
      • [gmx-users] how to write the correct top file for membrane protein system?   Mark Abraham
• [gmx-users] grompp   JMandumpal
  • [gmx-users] grompp   Tsjerk Wassenaar
  • [gmx-users] grompp   Mark Abraham
• [gmx-users] how to deduce charges for gromos forcefield?   Q733
  • [gmx-users] how to deduce charges for gromos forcefield?   David van der Spoel
  • [gmx-users] how to deduce charges for gromos forcefield?   David Mobley
• [gmx-users] Problem with replica exchange in vacuum   OZGE ENGIN
• [gmx-users] Problem with replica exchange in vacuum   OZGE ENGIN
  • [gmx-users] Problem with replica exchange in vacuum   Xavier Periole
• [gmx-users] area by lipid   Alan Dodd
• [gmx-users] Re: how to write the correct top file for membrane protein   liang
  • [gmx-users] Re: how to write the correct top file for membrane protein   Mark Abraham
• [gmx-users] Chains blowing Apart   csreddy at ncbs.res.in
  • [gmx-users] Chains blowing Apart   Xavier Periole
• [gmx-users] Re: About the parameters for REMD in vacuum   Xavier Periole
• [gmx-users] Re: Chain separation problem   Xavier Periole
  • [gmx-users] Re: Chain separation problem   csreddy at ncbs.res.in
    • [gmx-users] Re: Chain separation problem   Mark Abraham
  • [gmx-users] Re: Chain separation problem   Xavier Periole
• [gmx-users] [Fwd: Semiisotropic pressure coupling & comm_grps (VCM)]   David van der Spoel
  • [gmx-users] [Fwd: Semiisotropic pressure coupling & comm_grps (VCM)]   Xavier Periole
    • [gmx-users] [Fwd: Semiisotropic pressure coupling &comm_grps (VCM)]   Alok
• [gmx-users] Confusion Regarding Vacuum   csreddy at ncbs.res.in
  • [gmx-users] Confusion Regarding Vacuum   Xavier Periole
  • [gmx-users] Confusion Regarding Vacuum   Mark Abraham
• [gmx-users] Coarse-graining and tabulated non-bonded potentials - will write up on the wiki   Steven Kirk
  • [gmx-users] Coarse-graining and tabulated non-bonded potentials - will write   Berk Hess
• [gmx-users] Can 1-4 interactions be excluded seperately?   Bo Zhou
• [gmx-users] WCA potential   Argyrios Karatrantos
  • [gmx-users] WCA potential   Berk Hess
• [gmx-users] Problems compiling GROMACS on IBM Blue Gene/L   Fiona Reid
• [gmx-users] Range checking error   Yanzi Zhou
  • [gmx-users] Range checking error   David van der Spoel
    • [gmx-users] Range checking error   Yanzi Zhou
      • [gmx-users] Range checking error   Mark Abraham
      • [gmx-users] Range checking error   Yanzi Zhou
• [gmx-users] CNT Grompp errors and Force Field modifications   Christopher Stiles
• [gmx-users] how to solve this broken trjactory   Belquis Mothana
  • [gmx-users] how to solve this broken trjactory   Mark Abraham
    • [gmx-users] how to solve this broken trjactory   Belquis Mothana
• [gmx-users] pdb2gmx error   Tawhid Ezaz
  • [gmx-users] pdb2gmx error   Justin A. Lemkul
• [gmx-users] Moleculetype SOL contains no atoms   JMandumpal
• [gmx-users] Re:Moleculetype SOL contains no atoms   JMandumpal
• [gmx-users] pdb2gmx error   Tawhid Ezaz
  • [gmx-users] pdb2gmx error   Justin A. Lemkul
• [gmx-users] creating .tpr file   JMandumpal
  • [gmx-users] creating .tpr file   David van der Spoel
• [gmx-users] small organic molecules   foh
  • [gmx-users] small organic molecules   Xavier Periole
  • [gmx-users] small organic molecules   Dallas B. Warren
• [gmx-users] Diffusion coefficients   auryn_valemig
• [gmx-users] Re: how to write the correct top file for membrane protein   liang
• [gmx-users] Gromacs slow and crashes on Leopard.   Hadas Leonov
  • [gmx-users] Gromacs slow and crashes on Leopard.   David van der Spoel
    • [gmx-users] Gromacs slow and crashes on Leopard.   Hadas Leonov
      • [gmx-users] Gromacs slow and crashes on Leopard.   David van der Spoel
      • [gmx-users] Gromacs slow and crashes on Leopard.   Hadas Leonov
      • [gmx-users] Gromacs slow and crashes on Leopard.   Carsten Kutzner
  • [gmx-users] Gromacs slow and crashes on Leopard.   Carsten Kutzner
    • [gmx-users] Gromacs slow and crashes on Leopard.   Hadas Leonov
      • [gmx-users] Gromacs slow and crashes on Leopard.   David van der Spoel
• [gmx-users] reading files   vijaya subramanian
  • [gmx-users] reading files   David van der Spoel
• [gmx-users] The fifth column of the output file of g_sas command   OZGE ENGIN
• [gmx-users] Barcelona vs Xeon   Martin Höfling
  • [gmx-users] Barcelona vs Xeon   Carsten Kutzner
    • [gmx-users] Barcelona vs Xeon   Berk Hess
      • [gmx-users] Barcelona vs Xeon   Martin Höfling
• [gmx-users] pdb2gmx error   Tawhid Ezaz
  • [gmx-users] pdb2gmx error   Justin A. Lemkul
    • [gmx-users] pdb2gmx error   Tsjerk Wassenaar
• [gmx-users] gromacs installation in IBM BLUEGENE   Anupam Nath Jha
• [gmx-users] parallel simulation crash on 6 processors   servaas michielssens
  • [gmx-users] parallel simulation crash on 6 processors   David van der Spoel
• [gmx-users] opls bonded parameters   singh
• [gmx-users] gromacs installation in IBM BLUEGENE   Fiona Reid
• [gmx-users] Compile Gromacs-3.3.2 on HP xxxw9300 Workstation: AMD64 Opteron with Linux   Tandia, Adama
  • [gmx-users] Compile Gromacs-3.3.2 on HP xxxw9300 Workstation: AMD64 Opteron with Linux   David van der Spoel
• [gmx-users] Setting up Carbon Nanotube Simulations   Joshua D. Moore
  • [gmx-users] Setting up Carbon Nanotube Simulations   Robert Johnson
• [gmx-users] Gromacs slow and crashes on Leopard.   Hadas Leonov
• [gmx-users] ATP, GTP and REX   Robert Fenwick
  • [gmx-users] ATP, GTP and REX   Justin A. Lemkul
  • [gmx-users] ATP, GTP and REX   Maik Goette
• [gmx-users] rtp file   özge kül
  • [gmx-users] rtp file   Justin A. Lemkul
    • [gmx-users] rtp file   özge kül
      • [gmx-users] rtp file   Justin A. Lemkul
      • [gmx-users] rtp file   özge kül
• [gmx-users] rtp   özge kül
• [gmx-users] Double precision test failure   Chris Snook
  • [gmx-users] Double precision test failure   David van der Spoel
    • [gmx-users] Double precision test failure   Chris Snook
      • [gmx-users] Double precision test failure   David van der Spoel
      • [gmx-users] Double precision test failure   Chris Snook
      • [gmx-users] Double precision test failure   Berk Hess
      • [gmx-users] Double precision test failure   David van der Spoel
• [gmx-users] gmxtest seems to have missing files   Amin Astaneh
  • [gmx-users] gmxtest seems to have missing files   David van der Spoel
• [gmx-users] Recover velocity from trr file and coordinates from xtc file   Myunggi Yi
• [gmx-users] Recover velocity from trr file and coordinates from xtc file   Alan Dodd
  • [gmx-users] Chloroform   Mauro Puppett
    • [gmx-users] Chloroform   Dallas B. Warren
  • [gmx-users] Recover velocity from trr file and coordinates from xtc file   Myunggi Yi
• [gmx-users] Re: parallel simulation crash on 6 processors   servaas michielssens
  • [gmx-users] Re: parallel simulation crash on 6 processors   Carsten Kutzner
• [gmx-users] osmotic pressure in Gromacs   杭军 陆
  • [gmx-users] osmotic pressure in Gromacs   David van der Spoel
• [gmx-users] osmotic pressure in Gromacs   chris.neale at utoronto.ca
• [gmx-users] osmotic pressure in Gromacs   Chris Neale
• [gmx-users] Problem with S-S bond   Blaise Costa
  • [gmx-users] Problem with S-S bond   Tsjerk Wassenaar
• [gmx-users] Installation on IBM A.I.X.5.2.0.0   Li Zhenhai
• [gmx-users] Compilation error: eNR_NBKERNEL_NR   Tandia, Adama
  • [gmx-users] Compilation error: eNR_NBKERNEL_NR   David van der Spoel
• [gmx-users] Replica Exchange MD using Gromacs   Monika Sharma
• [gmx-users] Replica Exchange MD using Gromacs   OZGE ENGIN
• [gmx-users] Problem in atom name correspondence between protein topology and coordinates after mutation grompp   himanshu khandelia
  • [gmx-users] Re: Problem in atom name correspondence between protein topology and coordinates after mutation grompp   himanshu khandelia
    • [gmx-users] Re: Problem in atom name correspondence between protein topology and coordinates after mutation grompp   Justin A. Lemkul
    • [gmx-users] Re: Problem in atom name correspondence between protein topology and coordinates after mutation grompp   David van der Spoel
• [gmx-users] Writing initial coordinates to trajectory files   Brian Helfrich
  • [gmx-users] Writing initial coordinates to trajectory files   Berk Hess
    • [gmx-users] Writing initial coordinates to trajectory files   Brian Helfrich
• [gmx-users] Problem with S-S bond   Blaise Costa
• [gmx-users] GTP topology file for ffG43a1   Robert Fenwick
  • [gmx-users] GTP topology file for ffG43a1   Justin A. Lemkul
• [gmx-users] Recover velocity from trr file and coordinates from xtc file   Alan Dodd

Last message date: Fri Nov 30 21:11:15 CET 2007
Archived on: Thu Nov 14 12:04:02 CET 2013

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