September 2007 Archives by thread

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Starting: Sat Sep 1 06:43:52 CEST 2007
Ending: Sun Sep 30 22:09:21 CEST 2007
Messages: 501

• [gmx-users] Fwd: what is the force function for proper dihedrals   chris.neale at utoronto.ca
  • [gmx-users] Fwd: what is the force function for proper dihedrals   David van der Spoel
• [gmx-users] Correlation Matrix Calculation   Tsjerk Wassenaar
  • [gmx-users] Correlation Matrix Calculation   Arneh Babakhani
    • [gmx-users] Correlation Matrix Calculation   Tsjerk Wassenaar
      • [gmx-users] Correlation Matrix Calculation   Arneh Babakhani
      • [gmx-users] output of g_covar with -ascii option , and the format of covar.dat   Arneh Babakhani
      • [gmx-users] output of g_covar with -ascii option , and the format of covar.dat   Tsjerk Wassenaar
• [gmx-users] Fullerene simulation   Tsjerk Wassenaar
• [gmx-users] Re: Measure contour area of bilayer undulation   Erik Lindahl
  • [gmx-users] charge density of lipid   Mu Yuguang (Dr)
    • [gmx-users] charge density of lipid   David van der Spoel
      • [gmx-users] charge density of lipid   Mu Yuguang (Dr)
      • [gmx-users] charge density of lipid   David van der Spoel
      • [gmx-users] charge density of lipid   Mu Yuguang (Dr)
  • [gmx-users] Re: Measure contour area of bilayer undulation   Pedro Alexandre de Araújo Gomes Lapido Loureiro
  • [gmx-users] g_dih   Yin Jian
• [gmx-users] r_list and r_coulomb values while using PME   OZGE ENGIN
  • [gmx-users] r_list and r_coulomb values while using PME   David van der Spoel
• [gmx-users] r_list and r_coulomb values while using PME   OZGE ENGIN
  • [gmx-users] r_list and r_coulomb values while using PME   David van der Spoel
• [gmx-users] r_list and r_coulomb values while using PME   OZGE ENGIN
  • [gmx-users] r_list and r_coulomb values while using PME   David van der Spoel
• [gmx-users] how to set the number behind "d"in "editconf"   willting
  • [gmx-users] how to set the number behind "d"in "editconf"   Mark Abraham
• [gmx-users] extract water coordinate from xtc   SeungPyo Hong
  • [gmx-users] extract water coordinate from xtc   Mark Abraham
• [gmx-users] puting things in   Itamar Kass
  • [gmx-users] puting things in   Mark Abraham
    • [gmx-users] puting things in   Itamar Kass
      • [gmx-users] puting things in   Mark Abraham
• [gmx-users] Energy Minimisation problem   supti mukherjee
  • [gmx-users] Energy Minimisation problem   Mark Abraham
• [gmx-users] gromacs mdrun problems   Jonathan Spicer
  • [gmx-users] gromacs mdrun problems   Florian Haberl
  • [gmx-users] gromacs mdrun problems   David van der Spoel
• [gmx-users] FEP   jacopo.sgrignani at unifi.it
  • [gmx-users] FEP   David van der Spoel
• [gmx-users] biased potential in Gromacs   Argyrios Karatrantos
  • [gmx-users] biased potential in Gromacs   Ran Friedman
• [gmx-users] interaction lists in idef.h   wnoid at hec.utah.edu
  • [gmx-users] interaction lists in idef.h   David van der Spoel
  • [gmx-users] interaction lists in idef.h   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 41, Issue 5: interaction lists in idef.h (wnoid at hec.utah.edu)   Gerrit Groenhof
• [gmx-users] Charge of CH2r atoms in Gromos 53A6 force-field   OZGE ENGIN
  • [gmx-users] Charge of CH2r atoms in Gromos 53A6 force-field   Mark Abraham
  • [gmx-users] Charge of CH2r atoms in Gromos 53A6 force-field   Tsjerk Wassenaar
• [gmx-users] floating exception   TANG JIAOWEI
  • [gmx-users] floating exception   Mark Abraham
    • [gmx-users] floating exception   TANG JIAOWEI
  • [gmx-users] floating exception   Florian Haberl
    • [gmx-users] floating exception   TANG JIAOWEI
• [gmx-users] how to calculate internal energy for energygroups?   Allen Smith
• [gmx-users] New user, familiar with MD, unfamiliar with GROMACS, want to run simulation of protein in membrane   maria goranovic
  • [gmx-users] New user, familiar with MD, unfamiliar with GROMACS, want to run simulation of protein in membrane   David van der Spoel
• [gmx-users] electrons.dat for g_density   Shanshan Qin
  • [gmx-users] electrons.dat for g_density   Pedro Alexandre de Araújo Gomes Lapido Loureiro
  • [gmx-users] electrons.dat for g_density   David van der Spoel
• [gmx-users] make_ndx and residue name length   Alan Dodd
  • [gmx-users] make_ndx and residue name length   Berk Hess
• [gmx-users] interaction lists in idef.h   wnoid at hec.utah.edu
  • [gmx-users] interaction lists in idef.h   David van der Spoel
  • [gmx-users] interaction lists in idef.h   Mark Abraham
• [gmx-users] pdb file from prodrg2 cannot be recognized by gromacs?   Yafei Dai
  • [gmx-users] pdb file from prodrg2 cannot be recognized by gromacs?   Dallas B. Warren
  • [gmx-users] pdb file from prodrg2 cannot be recognized by gromacs?   Mark Abraham
  • [gmx-users] pdb file from prodrg2 cannot be recognized by gromacs?   Yang Ye
    • [gmx-users] How to use PRODRG to help new user do gromacs?   Yafei Dai
      • [gmx-users] How to use PRODRG to help new user do gromacs?   Yang Ye
      • [gmx-users] Problems using mdrun_d   Arneh Babakhani
      • [gmx-users] Problems using mdrun_d   Mark Abraham
      • [gmx-users] Problems using mdrun_d   Yang Ye
      • [gmx-users] Problems using mdrun_d   Arneh Babakhani
      • [gmx-users] Problems using mdrun_d   David van der Spoel
      • [gmx-users] How to use PRODRG to help new user do gromacs?   steletch at jouy.inra.fr
      • [gmx-users] How to use PRODRG to help new user do gromacs?   Yafei Dai
• [gmx-users] Parameters of Gold   rohit gole
  • [gmx-users] Parameters of Gold   David van der Spoel
  • [gmx-users] Parameters of Gold   Dallas B. Warren
• [gmx-users] How to run ED with position restrain along first principle component   Anirban Ghosh
• [gmx-users] Re: gmx-users Digest, Vol 41, Issue 10: How to run ED with position restrain along first principle, component (Anirban Ghosh)   Gerrit Groenhof
• [gmx-users] make_ndx and residue name length   Alan Dodd
• [gmx-users] psf 2 top   andrea carotti
  • [gmx-users] psf 2 top   Florian Haberl
• [gmx-users] Why Total Energy is positive??   uki zhu
  • [gmx-users] Why Total Energy is positive??   David van der Spoel
    • [gmx-users] Why Total Energy is positive??   uki zhu
      • [gmx-users] Why Total Energy is positive??   David Mobley
  • [gmx-users] Re: Why Total Energy is positive??   uki zhu
  • [gmx-users] Why Total Energy is positive??   Robert Johnson
• [gmx-users] questions about simulation of water/solid interface   Zhou Bo
  • [gmx-users] questions about simulation of water/solid interface   David van der Spoel
• [gmx-users] RF-excl confusion....   pascal.baillod at epfl.ch
  • [gmx-users] RF-excl confusion....   Berk Hess
  • [gmx-users] RF-excl confusion....   Berk Hess
• [gmx-users] infiniband question   Andrei Neamtu
  • [gmx-users] infiniband question   David van der Spoel
• [gmx-users] First Principle Component Analysis   Anirban Ghosh
  • [gmx-users] First Principle Component Analysis   Ran Friedman
• [gmx-users] [Fwd: Quary]   David van der Spoel
• [gmx-users] create dihedrals' index giving the names of atoms from file   Claus Valka
  • [gmx-users] create dihedrals' index giving the names of atoms from file   Mark Abraham
    • [gmx-users] create dihedrals' index giving the names of atoms from file   Claus Valka
      • [gmx-users] create dihedrals' index giving the names of atoms from file   Mark Abraham
• [gmx-users] Re: gmx-users Digest, Vol 41, Issue 15   Anirban Ghosh
  • [gmx-users] Re: gmx-users Digest, Vol 41, Issue 15   Ran Friedman
  • [gmx-users] nsgrid error   Attilio Vargiu
    • [gmx-users] nsgrid error   Yang Ye
    • [gmx-users] nsgrid error   Mark Abraham
      • [gmx-users] nsgrid error   Attilio Vargiu
      • [gmx-users] nsgrid error   Yang Ye
• [gmx-users] freeze groups and com motion   Zhou Bo
  • [gmx-users] freeze groups and com motion   David van der Spoel
    • [gmx-users] freeze groups and com motion   Berk Hess
• [gmx-users] Re: freeze groups and com motion (Berk Hess)   Zhou Bo
• [gmx-users] RF-excl confusion (2)....   pascal.baillod at epfl.ch
  • [gmx-users] scripting for gromacs ?   ROHIT MALSHE
    • [gmx-users] scripting for gromacs ?   Dallas B. Warren
  • [gmx-users] RF-excl confusion (2)....   Berk Hess
• [gmx-users] g_order utility bug   Wesley Smith
  • [gmx-users] g_order utility bug   David van der Spoel
• [gmx-users] LJ combination   이선주
  • [gmx-users] LJ combination   Mark Abraham
  • [gmx-users] LJ combination   David van der Spoel
• [gmx-users] Need help: error during installation   shyamala iyer
  • [gmx-users] Need help: error during installation   David van der Spoel
• [gmx-users] g_sas halted   Q733
  • [gmx-users] g_sas halted   David van der Spoel
• [gmx-users] g_sas halted   Q733
  • [gmx-users] g_sas halted   David van der Spoel
• [gmx-users] Adding two peptides in a water box   Triguero, Luciano O
  • [gmx-users] Adding two peptides in a water box   Lars.Schaefer at mpi-bpc.mpg.de
    • [gmx-users] Adding two peptides in a water box   Sheyore Omovie
      • [gmx-users] Adding two peptides in a water box   Triguero, Luciano O
    • [gmx-users] Adding two peptides in a water box   Mark Abraham
  • [gmx-users] Adding two peptides in a water box   Sheyore Omovie
• [gmx-users] Trouble Installing GROMACS   shyamala iyer
  • [gmx-users] Trouble Installing GROMACS   Mark Abraham
• [gmx-users] 8MB CPU cache vs 4MB CPU cache: large differen   Frankie Montenegro
• [gmx-users] 8MB CPU cache vs 4MB CPU cache: large difference in performance?   Frankie Montenegro
  • [gmx-users] Re: 8MB CPU cache vs 4MB CPU cache: large difference in performance?   Frankie Montenegro
  • [gmx-users] 8MB CPU cache vs 4MB CPU cache: large difference in performance?   David van der Spoel
• [gmx-users] 8MB CPU cache vs 4MB CPU cache: large difference in performance?   Yang Ye
  • [gmx-users] 8MB CPU cache vs 4MB CPU cache: large difference in performance?   David van der Spoel
    • [gmx-users] 8MB CPU cache vs 4MB CPU cache: large difference in performance?   Yang Ye
• [gmx-users] frozen group, pull code and COM motion removal   钩深致远
  • [gmx-users] frozen group, pull code and COM motion removal   David van der Spoel
    • [gmx-users] frozen group, pull code and COM motion removal   Allen Smith
• [gmx-users] Partial Charge Units in GROMACS.   Travis Trudeau
  • [gmx-users] Partial Charge Units in GROMACS.   Mark Abraham
  • [gmx-users] Partial Charge Units in GROMACS.   Yang Ye
• [gmx-users] [Fwd: Oueries]   David van der Spoel
  • [gmx-users] [Fwd: Oueries]   Mark Abraham
  • [gmx-users] [Fwd: Oueries]   sebastien santini
• [gmx-users] [Fwd: Oueries]   Yang Ye
• [gmx-users] make_edi command options   Anirban Ghosh
  • [gmx-users] make_edi command options   Tsjerk Wassenaar
• [gmx-users] Generating a solvent box   Dilraj Lama
  • [gmx-users] Generating a solvent box   Justin A. Lemkul
    • [gmx-users] Generating a solvent box   Dilraj Lama
      • [gmx-users] Generating a solvent box   David van der Spoel
• [gmx-users] "check14" and "shuffle" options in grompp command   WU Yanbin
  • [gmx-users] "check14" and "shuffle" options in grompp command   Yang Ye
    • [gmx-users] "check14" and "shuffle" options in grompp command   David van der Spoel
• [gmx-users] Change in distances between two atom during MD   Rui Li
  • [gmx-users] Change in distances between two atom during MD   Mark Abraham
  • [gmx-users] Change in distances between two atom during MD   Arthur Roberts
    • [gmx-users] Change in distances between two atom during MD   Erik Marklund
• [gmx-users] Exclusions for aromatic residues   한상화
  • [gmx-users] Exclusions for aromatic residues   David van der Spoel
• [gmx-users] about md simulation   amri ta
  • [gmx-users] about md simulation   Mark Abraham
    • [gmx-users] about md simulation   TJ Piggot
• [gmx-users] about md simulation   amri ta
  • [gmx-users] about md simulation   chiradip chatterjee
• [gmx-users] g_anaeig: Segmentation fault   ZT Yew
  • [gmx-users] g_anaeig: Segmentation fault   David van der Spoel
• [gmx-users] Installation problem on gromacs 3.3.1 during the step make install   maria goranovic
  • [gmx-users] Installation problem on gromacs 3.3.1 during the step make install   Diego Enry
• [gmx-users] about gromacs-osx-intel-3.3.1.dmg   liang
  • [gmx-users] about gromacs-osx-intel-3.3.1.dmg   David van der Spoel
• [gmx-users] segmentation fault in md   Rui Li
  • [gmx-users] segmentation fault in md   Mark Abraham
  • [gmx-users] segmentation fault in md   Martin Höfling
    • [gmx-users] segmentation fault in md   David van der Spoel
• [gmx-users] Re: Surface Area Algorithm   David van der Spoel
• [gmx-users] Help! A dummy atom definition problem!   Wang Qin
  • [gmx-users] Help! A dummy atom definition problem!   Yang Ye
    • [gmx-users] Help! A dummy atom definition problem!   Wang Qin
      • [gmx-users] Help! A dummy atom definition problem!   Yang Ye
      • [gmx-users] Help! A dummy atom definition problem!   Wang Qin
  • [gmx-users] Help! A dummy atom definition problem!   Maik Goette
    • [gmx-users] Help! A dummy atom definition problem!   Wang Qin
      • [gmx-users] Help! A dummy atom definition problem!   David van der Spoel
• [gmx-users] area per lipid   N-J.M. Macaluso
  • [gmx-users] area per lipid   David van der Spoel
• [gmx-users] Surface Accessible Volume with g_sas: possible or not?   Frankie Montenegro
  • [gmx-users] Surface Accessible Volume with g_sas: possible or not?   David van der Spoel
• [gmx-users] Error in top when using oplsaa with tip4p   한상화
  • [gmx-users] Error in top when using oplsaa with tip4p   David van der Spoel
• [gmx-users] Re: g_anaeig   David van der Spoel
• [gmx-users] segmentation fault in md   Mark Abraham
• [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Frankie Montenegro
  • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   David van der Spoel
    • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Frankie Montenegro
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   David van der Spoel
  • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Mark Abraham
    • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Frankie Montenegro
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Frankie Montenegro
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   David van der Spoel
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Frankie Montenegro
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   David van der Spoel
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Frankie Montenegro
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Frankie Montenegro
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   David van der Spoel
      • [gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility   Frankie Montenegro
• [gmx-users] stopcom and acc_grps   Zhou Bo
  • [gmx-users] stopcom and acc_grps   David van der Spoel
• [gmx-users] Protein coming out of the box   gtroiano at if.usp.br
  • [gmx-users] Protein coming out of the box   Mark Abraham
• [gmx-users] Solaris x86 instalation problem   André Melro
  • [gmx-users] Solaris x86 instalation problem   David van der Spoel
    • [gmx-users] Solaris x86 instalation problem   André Melro
• [gmx-users] Distance Restraints Violations   Francisco Gomes Neto
• [gmx-users] [Fwd: solaris installation error]   David van der Spoel
• [gmx-users] Re: about gromacs-osx-intel-3.3.1.dmg   liang
  • [gmx-users] Re: about gromacs-osx-intel-3.3.1.dmg   David van der Spoel
  • [gmx-users] Re: about gromacs-osx-intel-3.3.1.dmg   Mark Abraham
• [gmx-users] hi   Moutusi Manna
  • [gmx-users] hi   Mark Abraham
• [gmx-users] problem during converting ".pdb" to ".gro"   Moutusi Manna
  • [gmx-users] problem during converting ".pdb" to ".gro"   David van der Spoel
• [gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler?   liu xin
  • [gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler?   Diego Enry
    • [gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler?   Erik Lindahl
      • [gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler?   Jones de Andrade
• [gmx-users] Applying a Uniform Shear   toma0052
  • [gmx-users] Applying a Uniform Shear   David van der Spoel
  • [gmx-users] Applying a Uniform Shear   Berk Hess
• [gmx-users] genbox & protein internal H2O   John Mercer
• [gmx-users] Applying a Uniform Shear   toma0052
  • [gmx-users] Applying a Uniform Shear   David van der Spoel
• [gmx-users] calculation the energy of interaction   Nicolas Sapay
  • [gmx-users] calculation the force of interaction   Nicolas Sapay
    • [gmx-users] calculation the force of interaction   Mark Abraham
      • [gmx-users] calculation the force of interaction   David van der Spoel
• [gmx-users] To deshuffle or not to deshuffle, that is a question.   Frankie Montenegro
  • [gmx-users] To deshuffle or not to deshuffle, that is a question.   Yang Ye
    • [gmx-users] To deshuffle or not to deshuffle, that is a question.   steletch at jouy.inra.fr
      • [gmx-users] To deshuffle or not to deshuffle, that is a question.   Yang Ye
      • [gmx-users] To deshuffle or not to deshuffle, that is a question.   Frankie Montenegro
• [gmx-users] Structural alignment of different proteins   Ran Friedman
• [gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose   parichita parichita
  • [gmx-users] xpm2ps -f ss.xpm   Rigden, LucianeVMello
    • [gmx-users] xpm2ps -f ss.xpm   David van der Spoel
  • [gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose   TJ Piggot
    • [gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose   parichita parichita
      • [gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose   Mark Abraham
      • [gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose   Tsjerk Wassenaar
      • [gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose   parichita parichita
      • [gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose   Mark Abraham
• [gmx-users] g_wham   Naser, Md Abu
  • [gmx-users] g_wham   LuLanyuan
    • [gmx-users] g_wham   Naser, Md Abu
• [gmx-users] g_sorient segmenation fault   Naser, Md Abu
  • [gmx-users] g_sorient segmenation fault   David van der Spoel
• [gmx-users] Examples   Sagittarius
  • [gmx-users] Examples   Mark Abraham
    • [gmx-users] Problem with mdrun!   Blaise Mathias-Costa
      • [gmx-users] Problem with mdrun!   David van der Spoel
      • [gmx-users] Exact continuation run   vijaya subramanian
      • [gmx-users] Exact continuation run   Mark Abraham
      • [gmx-users] Exact continuation run   Berk Hess
      • [gmx-users] Exact continuation run   vijaya subramanian
      • [gmx-users] Exact continuation run   Berk Hess
      • [gmx-users] Problem with mdrun!   Justin A. Lemkul
    • [gmx-users] Examples   Sagittarius
      • [gmx-users] Examples   David van der Spoel
      • [gmx-users] Examples   Sagittarius
      • [gmx-users] Examples   David van der Spoel
      • [gmx-users] Examples   Sagittarius
      • [gmx-users] Examples   Tsjerk Wassenaar
• [gmx-users] lifetime between pairs of vectors   Jian Dai
  • [gmx-users] lifetime between pairs of vectors   David van der Spoel
• [gmx-users] Examples   Yang Ye
• [gmx-users] Dihedral angles   Mykola Rozhok
  • [gmx-users] Dihedral angles   David van der Spoel
    • [gmx-users] Dihedral angles   Mykola Rozhok
      • [gmx-users] Dihedral angles   David van der Spoel
      • [gmx-users] Dihedral angles   Mykola Rozhok
• [gmx-users] interaction energy between the ligand and protein   Rui Li
  • [gmx-users] interaction energy between the ligand and protein   Mark Abraham
• [gmx-users] LINCS error   vijay kumar hinge vijay
  • [gmx-users] LINCS error   Justin A. Lemkul
• [gmx-users] TFE query   Dilraj Lama
  • [gmx-users] TFE query   Mark Abraham
• [gmx-users] ffgmx_lipids.tar.gz   Rina Ghosh
• [gmx-users] New single thread performance numbers   Florian Haberl
  • [gmx-users] New single thread performance numbers   Mark Abraham
    • [gmx-users] New single thread performance numbers   Andrew Stelzer
    • [gmx-users] New single thread performance numbers   Erik Lindahl
      • [gmx-users] New single thread performance numbers   Jones de Andrade
      • [gmx-users] New single thread performance numbers   Erik Lindahl
      • [gmx-users] New single thread performance numbers   Florian Haberl
• [gmx-users] ffgmx_lipids.tar.gz   Alan Dodd
• [gmx-users] Neutralising charge distribution   Georgios Patargias
  • [gmx-users] g_rmsf and the -fit option , calculating average structures   Arneh Babakhani
    • [gmx-users] g_rmsf and the -fit option , calculating average structures   Mark Abraham
• [gmx-users] cgnr problems   wangcl
  • [gmx-users] cgnr problems   Mark Abraham
• [gmx-users] ffgmx_lipids folder   Rina Ghosh
  • [gmx-users] ffgmx_lipids folder   David van der Spoel
• [gmx-users] RE: Neutralising charge distribution   van Bemmelen
  • [gmx-users] RE: Neutralising charge distribution   Georgios Patargias
    • [gmx-users] RE: Neutralising charge distribution   David van der Spoel
• [gmx-users] dynamic cross correlation map   Dhananjay
  • [gmx-users] dynamic cross correlation map   David van der Spoel
    • [gmx-users] dynamic cross correlation map   Dhananjay
      • [gmx-users] dynamic cross correlation map   Pedro Alexandre de Araújo Gomes Lapido Loureiro
      • [gmx-users] dynamic cross correlation map   Berk Hess
      • [gmx-users] dynamic cross correlation map   Tsjerk Wassenaar
      • [gmx-users] dynamic cross correlation map   Yang Ye
      • [gmx-users] dynamic cross correlation map   Dhananjay
      • [gmx-users] dynamic cross correlation map   David van der Spoel
  • [gmx-users] OPLS parametes for cholesterol   Jochen Hub
    • [gmx-users] OPLS parametes for cholesterol   Valentin Gogonea
      • [gmx-users] OPLS parametes for cholesterol   Yang Ye
      • [gmx-users] OPLS parametes for cholesterol   Valentin Gogonea
      • [gmx-users] OPLS parametes for cholesterol   Yang Ye
• [gmx-users] Troubles with genbox and random insertion   Shay Amram
  • [gmx-users] Troubles with genbox and random insertion   Ran Friedman
    • [gmx-users] Troubles with genbox and random insertion   Shay Amram
      • [gmx-users] Troubles with genbox and random insertion   Vasilii Artyukhov
      • [gmx-users] Troubles with genbox and random insertion   Ran Friedman
      • [gmx-users] Troubles with genbox and random insertion   Shay Amram
• [gmx-users] re: gmx-users Digest, Vol 41, Issue 56   wangchunlei
  • [gmx-users] re: gmx-users Digest, Vol 41, Issue 56   David van der Spoel
  • [gmx-users] re: gmx-users Digest, Vol 41, Issue 56   Yang Ye
• [gmx-users] single vs double precision issues   Adrien Leygue
  • [gmx-users] single vs double precision issues   David van der Spoel
• [gmx-users] perl scripts to convert CHARMM27 files into .tpr   Rina Ghosh
  • [gmx-users] perl scripts to convert CHARMM27 files into .tpr   Yang Ye
• [gmx-users] RE: gmx-users Digest, Vol 41, Issue 61   Ricardo Gobato
  • [gmx-users] RE: gmx-users Digest, Vol 41, Issue 61   Tsjerk Wassenaar
• [gmx-users] Range checking erro - energy minimization   Ricardo Gobato
• [gmx-users] OPLS parametes   Sagittarius
• [gmx-users] Odd error   Christopher Stiles
  • [gmx-users] Odd error   David van der Spoel
    • [gmx-users] Odd error   Christopher Stiles
      • [gmx-users] Odd error   David van der Spoel
      • [gmx-users] Odd error   Christopher Stiles
• [gmx-users] Atomic distances problems using gmxcheck   yudaqi
  • [gmx-users] Atomic distances problems using gmxcheck   David van der Spoel
  • [gmx-users] Atomic distances problems using gmxcheck   David van der Spoel
• [gmx-users] How to visualize .edo file   Anirban Ghosh
• [gmx-users] Mmxcheck Messages and Timesteps   Shay Amram
  • [gmx-users] Mmxcheck Messages and Timesteps   David van der Spoel
    • [gmx-users] Mmxcheck Messages and Timesteps   Shay Amram
• [gmx-users] RE: Neutralising charge distribution   van Bemmelen
  • [gmx-users] RE: Neutralising charge distribution   Georgios Patargias
• [gmx-users] MD simulation of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose   parichita parichita
• [gmx-users] RE: Neutralising charge distribution   van Bemmelen
• [gmx-users] POPC simulation   Moutusi Manna
  • [gmx-users] POPC simulation   Justin A. Lemkul
• [gmx-users] Atomic distances problems using gmxcheck   yudaqi
• [gmx-users] Re: Atomic distances problems using gmxcheck (David van der Spoel)   yudaqi
  • [gmx-users] Re: Atomic distances problems using gmxcheck (David van der Spoel)   Yang Ye
• [gmx-users] "Impulsive" motion resulting from AFM pulling   Robert Johnson
  • [gmx-users] Re: "Impulsive" motion resulting from AFM pulling   Robert Johnson
    • [gmx-users] Re: "Impulsive" motion resulting from AFM pulling   Maik Goette
• [gmx-users] VDW Default and PME question   Jason O'Young
  • [gmx-users] VDW Default and PME question   Berk Hess
• [gmx-users] AFM Pulling and com motion   Zhou Bo
  • [gmx-users] AFM Pulling and com motion   Berk Hess
• [gmx-users] RE: VDW Default and PME question   van Bemmelen
  • [gmx-users] Average Structure outputted from g_rmsf   Arneh Babakhani
    • [gmx-users] Average Structure outputted from g_rmsf   Florian Haberl
      • [gmx-users] Average Structure outputted from g_rmsf   Arneh Babakhani
    • [gmx-users] Average Structure outputted from g_rmsf   Mark Abraham
      • [gmx-users] Average Structure outputted from g_rmsf   Arneh Babakhani
      • [gmx-users] Average Structure outputted from g_rmsf   Erik Marklund
      • [gmx-users] Average Structure outputted from g_rmsf   Arneh Babakhani
• [gmx-users] AFM Pulling and com motion   Zhou Bo
  • [gmx-users] AFM Pulling and com motion   Berk Hess
• [gmx-users] extract coordinates of selected atoms   Qin Shanshan
  • [gmx-users] extract coordinates of selected atoms   Mark Abraham
  • [gmx-users] extract coordinates of selected atoms   Yang Ye
• [gmx-users] AFM Pulling and com motion   Zhou Bo
  • [gmx-users] AFM Pulling and com motion   Berk Hess
• [gmx-users] dynamics with toluene as solvent   Eva Santos
  • [gmx-users] dynamics with toluene as solvent   Simba Xiao
• [gmx-users] g_densmap per slice   gil claudio
  • [gmx-users] g_densmap per slice   Berk Hess
    • [gmx-users] g_densmap per slice   Berk Hess
• [gmx-users] Doubt about -linfix, -linacc, -radfix, -radacc, -radcon   Anirban Ghosh
  • [gmx-users] Doubt about -linfix, -linacc, -radfix, -radacc, -radcon   Bert de Groot
• [gmx-users] reporting failure   luciano.pgomes
• [gmx-users] atom index number   Naser, Md Abu
  • [gmx-users] atom index number   Erik Marklund
    • [gmx-users] atom index number   Naser, Md Abu
• [gmx-users] How to move a rigid wall?   wendung at umich.edu
  • [gmx-users] How to move a rigid wall?   Yang Ye
• [gmx-users] g_energy -fee -inf problem   Naser, Md Abu
  • [gmx-users] g_energy -fee -inf problem   Mark Abraham
    • [gmx-users] g_energy -fee -inf problem   Naser, Md Abu
      • [gmx-users] g_energy -fee -inf problem   Mark Abraham
      • [gmx-users] g_energy -fee -inf problem   Naser, Md Abu
      • [gmx-users] g_energy -fee -inf problem   Mark Abraham
      • [gmx-users] g_energy -fee -inf problem   Naser, Md Abu
• [gmx-users] POPC simulation   chris.neale at utoronto.ca
• [gmx-users] xtc files from fortran on 64 bit architecture   Rahul Godawat
• [gmx-users] g_rdf in fedora core 5   root
  • [gmx-users] g_rdf in fedora core 5   David van der Spoel
• [gmx-users] g_dist   Naser, Md Abu
  • [gmx-users] g_dist   David van der Spoel
    • [gmx-users] g_dist   Naser, Md Abu
      • [gmx-users] g_dist   David van der Spoel
      • [gmx-users] g_dist   Xavier Periole
      • [gmx-users] g_dist   Naser, Md Abu
      • [gmx-users] g_dist   Xavier Periole
      • [gmx-users] g_dist   Naser, Md Abu
• [gmx-users] Pbc and Com in simulation video   janne.hirvi at joensuu.fi
  • [gmx-users] Pbc and Com in simulation video   bmmothan at ucalgary.ca
  • [gmx-users] Pbc and Com in simulation video   Yang Ye
• [gmx-users] Pbc and Com in simulation video   Alan Dodd
• [gmx-users] PMF from AFM pulling   bmmothan at ucalgary.ca
• [gmx-users] Using GROMACS to do colloid simulations   Rich Hanes
  • [gmx-users] Using GROMACS to do colloid simulations   Yang Ye
• [gmx-users] HIV protease dimer Energy minimization-ERROR   chandran karunakaran
  • [gmx-users] HIV protease dimer Energy minimization-ERROR   Dallas B. Warren
  • [gmx-users] HIV protease dimer Energy minimization-ERROR   serdar durdagi
• [gmx-users] a future gmx 4.0 doubt   Jones de Andrade
• [gmx-users] Re: Pbc and Com in simulation video   janne.hirvi at joensuu.fi
• [gmx-users] Re: Pbc and Com in simulation video   Alan Dodd
• [gmx-users] Recompile GROMACS   Rodrigo faccioli
  • [gmx-users] Recompile GROMACS   Mark Abraham
  • [gmx-users] Recompile GROMACS   Yang Ye
• [gmx-users] make_ndx   Naser, Md Abu
  • [gmx-users] make_ndx   Xavier Periole
    • [gmx-users] make_ndx   Naser, Md Abu
      • [gmx-users] make_ndx   David van der Spoel
      • [gmx-users] make_ndx   Naser, Md Abu
      • [gmx-users] make_ndx   David van der Spoel
      • [gmx-users] make_ndx   Naser, Md Abu
      • [gmx-users] make_ndx   Xavier Periole
• [gmx-users] the mkinl*.c and metacode.c sources   renying
  • [gmx-users] the mkinl*.c and metacode.c sources   David van der Spoel
• [gmx-users] installation   Mohammad Ahmadi
  • [gmx-users] installation   Anupam Nath Jha
    • [gmx-users] installation   Mark Abraham
  • [gmx-users] installation   Mark Abraham
  • [gmx-users] installation   David van der Spoel
• [gmx-users] How to define simulation time in mdp file?   Anirban Ghosh
  • [gmx-users] How to define simulation time in mdp file?   Mark Abraham
• [gmx-users] fortran xtc reading problem?   Jones de Andrade
• [gmx-users] how to remove periodicity when using g_rmsd   TANG JIAOWEI
  • [gmx-users] how to remove periodicity when using g_rmsd   Florian Haberl
  • [gmx-users] how to remove periodicity when using g_rmsd   Erik Marklund
    • [gmx-users] how to remove periodicity when using g_rmsd   Tsjerk Wassenaar
• [gmx-users] Drift and crash   BON Michael
• [gmx-users] ffamber updates   Eric J. Sorin
  • [gmx-users] ffamber updates   Maik Goette
    • [gmx-users] ffamber updates   Eric J. Sorin
• [gmx-users] Project trajectory without fitting using g_anaeig   Robert Johnson
  • [gmx-users] Project trajectory without fitting using g_anaeig   Tsjerk Wassenaar
• [gmx-users] atom partial charge   Morgan Lawrenz
• [gmx-users] Re: how to remove periodicity when using g_rmsd   Mauricio Pablo Sica
• [gmx-users] gromacs result   mahbubeh zarrabi
  • [gmx-users] gromacs result   Mark Abraham
    • [gmx-users] gromacs result   Maik Goette
      • [gmx-users] gromacs result   David van der Spoel
• [gmx-users] G_hbond and periodicity   tangxuan
  • [gmx-users] G_hbond and periodicity   Tsjerk Wassenaar
• [gmx-users] fatal error in nsgrid   Fabio Affinito
• [gmx-users] Reading XTC files from fortran90   Jones de Andrade
  • [gmx-users] Reading XTC files from fortran90   Bert de Groot
    • [gmx-users] Reading XTC files from fortran90   Jones de Andrade
      • [gmx-users] Reading XTC files from fortran90   Bert de Groot
      • [gmx-users] Reading XTC files from fortran90   Jones de Andrade
      • [gmx-users] Reading XTC files from fortran90   Tsjerk Wassenaar
      • [gmx-users] Reading XTC files from fortran90   Jones de Andrade
      • [gmx-users] Reading XTC files from fortran90   Mark Abraham
      • [gmx-users] Reading XTC files from fortran90   David van der Spoel
      • [gmx-users] Reading XTC files from fortran90   Mark Abraham
      • [gmx-users] Reading XTC files from fortran90   Jones de Andrade
      • [gmx-users] Reading XTC files from fortran90   David van der Spoel
      • [gmx-users] Reading XTC files from fortran90   Jones de Andrade
      • [gmx-users] Reading XTC files from fortran90   Mark Abraham
• [gmx-users] error in mdrun   Mohammad Ahmadi
  • [gmx-users] error in mdrun   Tsjerk Wassenaar
• [gmx-users] Gromacs for Aerosol Particle Agglomeration   Lorenzo Isella
  • [gmx-users] Gromacs for Aerosol Particle Agglomeration   Yang Ye
• [gmx-users] ANTECHAMBER & GAFF   Dechang Li
  • [gmx-users] ANTECHAMBER & GAFF   Mark Abraham
  • [gmx-users] ANTECHAMBER & GAFF   Yang Ye
• [gmx-users] Re: ANTECHAMBER & GAFF   Dechang Li
  • [gmx-users] Re: ANTECHAMBER & GAFF   Mark Abraham
• [gmx-users] MPIRUN problem when switched to 8 np (searched the list)   liu xin
  • [gmx-users] MPIRUN problem when switched to 8 np (searched the list)   Mark Abraham
    • [gmx-users] MPIRUN problem when switched to 8 np (searched the list)   liu xin
• [gmx-users] gromacs 3.3.2   David van der Spoel

Last message date: Sun Sep 30 22:09:21 CEST 2007
Archived on: Thu Nov 14 12:03:54 CET 2013

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