September 2007 Archives by author

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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] charge density of lipid Mu Yuguang (Dr)
[gmx-users] charge density of lipid Mu Yuguang (Dr)
[gmx-users] charge density of lipid Mu Yuguang (Dr)
[gmx-users] frozen group, pull code and COM motion removal =?GB2312?B?ubPJ7tbC1LY=?=
[gmx-users] Solaris x86 instalation problem André Melro
[gmx-users] Solaris x86 instalation problem André Melro
[gmx-users] Re: Measure contour area of bilayer undulation Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] electrons.dat for g_density Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] dynamic cross correlation map Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] LJ combination 이선주
[gmx-users] Exclusions for aromatic residues 한상화
[gmx-users] Error in top when using oplsaa with tip4p 한상화
[gmx-users] segmentation fault in md Martin Höfling
[gmx-users] how to set the number behind "d"in "editconf" Mark Abraham
[gmx-users] extract water coordinate from xtc Mark Abraham
[gmx-users] puting things in Mark Abraham
[gmx-users] puting things in Mark Abraham
[gmx-users] Energy Minimisation problem Mark Abraham
[gmx-users] interaction lists in idef.h Mark Abraham
[gmx-users] Charge of CH2r atoms in Gromos 53A6 force-field Mark Abraham
[gmx-users] floating exception Mark Abraham
[gmx-users] interaction lists in idef.h Mark Abraham
[gmx-users] pdb file from prodrg2 cannot be recognized by gromacs? Mark Abraham
[gmx-users] Problems using mdrun_d Mark Abraham
[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 Mark Abraham
[gmx-users] nsgrid error Mark Abraham
[gmx-users] LJ combination Mark Abraham
[gmx-users] Trouble Installing GROMACS Mark Abraham
[gmx-users] Adding two peptides in a water box Mark Abraham
[gmx-users] Partial Charge Units in GROMACS. Mark Abraham
[gmx-users] [Fwd: Oueries] Mark Abraham
[gmx-users] Change in distances between two atom during MD Mark Abraham
[gmx-users] about md simulation Mark Abraham
[gmx-users] segmentation fault in md Mark Abraham
[gmx-users] segmentation fault in md Mark Abraham
[gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility Mark Abraham
[gmx-users] Protein coming out of the box Mark Abraham
[gmx-users] Re: about gromacs-osx-intel-3.3.1.dmg Mark Abraham
[gmx-users] hi Mark Abraham
[gmx-users] Examples Mark Abraham
[gmx-users] calculation the force of interaction Mark Abraham
[gmx-users] Exact continuation run Mark Abraham
[gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose Mark Abraham
[gmx-users] New single thread performance numbers Mark Abraham
[gmx-users] TFE query Mark Abraham
[gmx-users] interaction energy between the ligand and protein Mark Abraham
[gmx-users] cgnr problems Mark Abraham
[gmx-users] g_rmsf and the -fit option , calculating average structures Mark Abraham
[gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose Mark Abraham
[gmx-users] Average Structure outputted from g_rmsf Mark Abraham
[gmx-users] extract coordinates of selected atoms Mark Abraham
[gmx-users] g_energy -fee -inf problem Mark Abraham
[gmx-users] g_energy -fee -inf problem Mark Abraham
[gmx-users] g_energy -fee -inf problem Mark Abraham
[gmx-users] Recompile GROMACS Mark Abraham
[gmx-users] installation Mark Abraham
[gmx-users] installation Mark Abraham
[gmx-users] How to define simulation time in mdp file? Mark Abraham
[gmx-users] gromacs result Mark Abraham
[gmx-users] ANTECHAMBER & GAFF Mark Abraham
[gmx-users] Re: ANTECHAMBER & GAFF Mark Abraham
[gmx-users] Reading XTC files from fortran90 Mark Abraham
[gmx-users] Reading XTC files from fortran90 Mark Abraham
[gmx-users] MPIRUN problem when switched to 8 np (searched the list) Mark Abraham
[gmx-users] Reading XTC files from fortran90 Mark Abraham
[gmx-users] fatal error in nsgrid Fabio Affinito
[gmx-users] installation Mohammad Ahmadi
[gmx-users] error in mdrun Mohammad Ahmadi
[gmx-users] Troubles with genbox and random insertion Shay Amram
[gmx-users] Troubles with genbox and random insertion Shay Amram
[gmx-users] Troubles with genbox and random insertion Shay Amram
[gmx-users] Mmxcheck Messages and Timesteps Shay Amram
[gmx-users] Mmxcheck Messages and Timesteps Shay Amram
[gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler? Jones de Andrade
[gmx-users] New single thread performance numbers Jones de Andrade
[gmx-users] a future gmx 4.0 doubt Jones de Andrade
[gmx-users] fortran xtc reading problem? Jones de Andrade
[gmx-users] Reading XTC files from fortran90 Jones de Andrade
[gmx-users] Reading XTC files from fortran90 Jones de Andrade
[gmx-users] Reading XTC files from fortran90 Jones de Andrade
[gmx-users] Reading XTC files from fortran90 Jones de Andrade
[gmx-users] Reading XTC files from fortran90 Jones de Andrade
[gmx-users] Reading XTC files from fortran90 Jones de Andrade
[gmx-users] Troubles with genbox and random insertion Vasilii Artyukhov
[gmx-users] Correlation Matrix Calculation Arneh Babakhani
[gmx-users] Problems using mdrun_d Arneh Babakhani
[gmx-users] Problems using mdrun_d Arneh Babakhani
[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] g_rmsf and the -fit option , calculating average structures Arneh Babakhani
[gmx-users] Average Structure outputted from g_rmsf Arneh Babakhani
[gmx-users] Average Structure outputted from g_rmsf Arneh Babakhani
[gmx-users] Average Structure outputted from g_rmsf Arneh Babakhani
[gmx-users] Average Structure outputted from g_rmsf Arneh Babakhani
[gmx-users] RE: Neutralising charge distribution van Bemmelen
[gmx-users] RE: Neutralising charge distribution van Bemmelen
[gmx-users] RE: Neutralising charge distribution van Bemmelen
[gmx-users] RE: VDW Default and PME question van Bemmelen
[gmx-users] questions about simulation of water/solid interface Zhou Bo
[gmx-users] freeze groups and com motion Zhou Bo
[gmx-users] Re: freeze groups and com motion (Berk Hess) Zhou Bo
[gmx-users] stopcom and acc_grps Zhou Bo
[gmx-users] AFM Pulling and com motion Zhou Bo
[gmx-users] AFM Pulling and com motion Zhou Bo
[gmx-users] AFM Pulling and com motion Zhou Bo
[gmx-users] lifetime between pairs of vectors Jian Dai
[gmx-users] pdb file from prodrg2 cannot be recognized by gromacs? Yafei Dai
[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? Yafei Dai
[gmx-users] dynamic cross correlation map Dhananjay
[gmx-users] dynamic cross correlation map Dhananjay
[gmx-users] dynamic cross correlation map Dhananjay
[gmx-users] make_ndx and residue name length Alan Dodd
[gmx-users] make_ndx and residue name length Alan Dodd
[gmx-users] ffgmx_lipids.tar.gz Alan Dodd
[gmx-users] Pbc and Com in simulation video Alan Dodd
[gmx-users] Re: Pbc and Com in simulation video Alan Dodd
[gmx-users] r_list and r_coulomb values while using PME OZGE ENGIN
[gmx-users] r_list and r_coulomb values while using PME OZGE ENGIN
[gmx-users] r_list and r_coulomb values while using PME OZGE ENGIN
[gmx-users] Charge of CH2r atoms in Gromos 53A6 force-field OZGE ENGIN
[gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler? Diego Enry
[gmx-users] Installation problem on gromacs 3.3.1 during the step make install Diego Enry
[gmx-users] biased potential in Gromacs Ran Friedman
[gmx-users] First Principle Component Analysis Ran Friedman
[gmx-users] Re: gmx-users Digest, Vol 41, Issue 15 Ran Friedman
[gmx-users] Structural alignment of different proteins Ran Friedman
[gmx-users] Troubles with genbox and random insertion Ran Friedman
[gmx-users] Troubles with genbox and random insertion Ran Friedman
[gmx-users] How to run ED with position restrain along first principle component Anirban Ghosh
[gmx-users] First Principle Component Analysis Anirban Ghosh
[gmx-users] Re: gmx-users Digest, Vol 41, Issue 15 Anirban Ghosh
[gmx-users] make_edi command options Anirban Ghosh
[gmx-users] How to visualize .edo file Anirban Ghosh
[gmx-users] Doubt about -linfix, -linacc, -radfix, -radacc, -radcon Anirban Ghosh
[gmx-users] How to define simulation time in mdp file? Anirban Ghosh
[gmx-users] ffgmx_lipids.tar.gz Rina Ghosh
[gmx-users] ffgmx_lipids folder Rina Ghosh
[gmx-users] perl scripts to convert CHARMM27 files into .tpr Rina Ghosh
[gmx-users] RE: gmx-users Digest, Vol 41, Issue 61 Ricardo Gobato
[gmx-users] Range checking erro - energy minimization Ricardo Gobato
[gmx-users] xtc files from fortran on 64 bit architecture Rahul Godawat
[gmx-users] Help! A dummy atom definition problem! Maik Goette
[gmx-users] Re: "Impulsive" motion resulting from AFM pulling Maik Goette
[gmx-users] gromacs result Maik Goette
[gmx-users] ffamber updates Maik Goette
[gmx-users] OPLS parametes for cholesterol Valentin Gogonea
[gmx-users] OPLS parametes for cholesterol Valentin Gogonea
[gmx-users] Re: gmx-users Digest, Vol 41, Issue 5: interaction lists in idef.h (wnoid@hec.utah.edu) Gerrit Groenhof
[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] Doubt about -linfix, -linacc, -radfix, -radacc, -radcon Bert de Groot
[gmx-users] Reading XTC files from fortran90 Bert de Groot
[gmx-users] Reading XTC files from fortran90 Bert de Groot
[gmx-users] gromacs mdrun problems Florian Haberl
[gmx-users] floating exception Florian Haberl
[gmx-users] psf 2 top Florian Haberl
[gmx-users] New single thread performance numbers Florian Haberl
[gmx-users] New single thread performance numbers Florian Haberl
[gmx-users] Average Structure outputted from g_rmsf Florian Haberl
[gmx-users] how to remove periodicity when using g_rmsd Florian Haberl
[gmx-users] Using GROMACS to do colloid simulations Rich Hanes
[gmx-users] make_ndx and residue name length Berk Hess
[gmx-users] RF-excl confusion.... Berk Hess
[gmx-users] RF-excl confusion.... Berk Hess
[gmx-users] freeze groups and com motion Berk Hess
[gmx-users] RF-excl confusion (2).... Berk Hess
[gmx-users] Applying a Uniform Shear Berk Hess
[gmx-users] Exact continuation run Berk Hess
[gmx-users] Exact continuation run Berk Hess
[gmx-users] dynamic cross correlation map Berk Hess
[gmx-users] VDW Default and PME question Berk Hess
[gmx-users] AFM Pulling and com motion Berk Hess
[gmx-users] AFM Pulling and com motion Berk Hess
[gmx-users] AFM Pulling and com motion Berk Hess
[gmx-users] g_densmap per slice Berk Hess
[gmx-users] g_densmap per slice Berk Hess
[gmx-users] extract water coordinate from xtc SeungPyo Hong
[gmx-users] OPLS parametes for cholesterol Jochen Hub
[gmx-users] Gromacs for Aerosol Particle Agglomeration Lorenzo Isella
[gmx-users] floating exception TANG JIAOWEI
[gmx-users] floating exception TANG JIAOWEI
[gmx-users] floating exception TANG JIAOWEI
[gmx-users] how to remove periodicity when using g_rmsd TANG JIAOWEI
[gmx-users] installation Anupam Nath Jha
[gmx-users] g_dih Yin Jian
[gmx-users] Why Total Energy is positive?? Robert Johnson
[gmx-users] "Impulsive" motion resulting from AFM pulling Robert Johnson
[gmx-users] Re: "Impulsive" motion resulting from AFM pulling Robert Johnson
[gmx-users] Project trajectory without fitting using g_anaeig Robert Johnson
[gmx-users] biased potential in Gromacs Argyrios Karatrantos
[gmx-users] puting things in Itamar Kass
[gmx-users] puting things in Itamar Kass
[gmx-users] Generating a solvent box Dilraj Lama
[gmx-users] Generating a solvent box Dilraj Lama
[gmx-users] TFE query Dilraj Lama
[gmx-users] Adding two peptides in a water box Lars.Schaefer at mpi-bpc.mpg.de
[gmx-users] atom partial charge Morgan Lawrenz
[gmx-users] Generating a solvent box Justin A. Lemkul
[gmx-users] Problem with mdrun! Justin A. Lemkul
[gmx-users] LINCS error Justin A. Lemkul
[gmx-users] POPC simulation Justin A. Lemkul
[gmx-users] single vs double precision issues Adrien Leygue
[gmx-users] ANTECHAMBER & GAFF Dechang Li
[gmx-users] Re: ANTECHAMBER & GAFF Dechang Li
[gmx-users] Change in distances between two atom during MD Rui Li
[gmx-users] segmentation fault in md Rui Li
[gmx-users] interaction energy between the ligand and protein Rui Li
[gmx-users] Re: Measure contour area of bilayer undulation Erik Lindahl
[gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler? Erik Lindahl
[gmx-users] New single thread performance numbers Erik Lindahl
[gmx-users] New single thread performance numbers Erik Lindahl
[gmx-users] g_wham LuLanyuan
[gmx-users] scripting for gromacs ? ROHIT MALSHE
[gmx-users] area per lipid N-J.M. Macaluso
[gmx-users] hi Moutusi Manna
[gmx-users] problem during converting ".pdb" to ".gro" Moutusi Manna
[gmx-users] POPC simulation Moutusi Manna
[gmx-users] Change in distances between two atom during MD Erik Marklund
[gmx-users] Average Structure outputted from g_rmsf Erik Marklund
[gmx-users] atom index number Erik Marklund
[gmx-users] how to remove periodicity when using g_rmsd Erik Marklund
[gmx-users] Problem with mdrun! Blaise Mathias-Costa
[gmx-users] genbox & protein internal H2O John Mercer
[gmx-users] Drift and crash BON Michael
[gmx-users] Why Total Energy is positive?? David Mobley
[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] Surface Accessible Volume with g_sas: possible or not? 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 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 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 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 Frankie Montenegro
[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. Frankie Montenegro
[gmx-users] g_wham Naser, Md Abu
[gmx-users] g_sorient segmenation fault Naser, Md Abu
[gmx-users] g_wham Naser, Md Abu
[gmx-users] atom index number Naser, Md Abu
[gmx-users] g_energy -fee -inf problem Naser, Md Abu
[gmx-users] g_energy -fee -inf problem Naser, Md Abu
[gmx-users] atom index number Naser, Md Abu
[gmx-users] g_energy -fee -inf problem Naser, Md Abu
[gmx-users] g_energy -fee -inf problem Naser, Md Abu
[gmx-users] g_dist Naser, Md Abu
[gmx-users] g_dist Naser, Md Abu
[gmx-users] g_dist Naser, Md Abu
[gmx-users] g_dist Naser, Md Abu
[gmx-users] make_ndx Naser, Md Abu
[gmx-users] make_ndx Naser, Md Abu
[gmx-users] make_ndx Naser, Md Abu
[gmx-users] make_ndx Naser, Md Abu
[gmx-users] infiniband question Andrei Neamtu
[gmx-users] Distance Restraints Violations Francisco Gomes Neto
[gmx-users] VDW Default and PME question Jason O'Young
[gmx-users] Adding two peptides in a water box Sheyore Omovie
[gmx-users] Adding two peptides in a water box Sheyore Omovie
[gmx-users] Neutralising charge distribution Georgios Patargias
[gmx-users] RE: Neutralising charge distribution Georgios Patargias
[gmx-users] RE: Neutralising charge distribution Georgios Patargias
[gmx-users] g_dist Xavier Periole
[gmx-users] g_dist Xavier Periole
[gmx-users] make_ndx Xavier Periole
[gmx-users] make_ndx Xavier Periole
[gmx-users] about md simulation TJ Piggot
[gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose TJ Piggot
[gmx-users] g_sas halted Q733
[gmx-users] g_sas halted Q733
[gmx-users] electrons.dat for g_density Shanshan Qin
[gmx-users] Help! A dummy atom definition problem! Wang Qin
[gmx-users] Help! A dummy atom definition problem! Wang Qin
[gmx-users] Help! A dummy atom definition problem! Wang Qin
[gmx-users] Help! A dummy atom definition problem! Wang Qin
[gmx-users] xpm2ps -f ss.xpm Rigden, LucianeVMello
[gmx-users] Change in distances between two atom during MD Arthur Roberts
[gmx-users] Dihedral angles Mykola Rozhok
[gmx-users] Dihedral angles Mykola Rozhok
[gmx-users] Dihedral angles Mykola Rozhok
[gmx-users] Examples Sagittarius
[gmx-users] Examples Sagittarius
[gmx-users] Examples Sagittarius
[gmx-users] Examples Sagittarius
[gmx-users] OPLS parametes Sagittarius
[gmx-users] dynamics with toluene as solvent Eva Santos
[gmx-users] calculation the energy of interaction Nicolas Sapay
[gmx-users] calculation the force of interaction Nicolas Sapay
[gmx-users] extract coordinates of selected atoms Qin Shanshan
[gmx-users] Re: how to remove periodicity when using g_rmsd Mauricio Pablo Sica
[gmx-users] how to calculate internal energy for energygroups? Allen Smith
[gmx-users] frozen group, pull code and COM motion removal Allen Smith
[gmx-users] g_order utility bug Wesley Smith
[gmx-users] ffamber updates Eric J. Sorin
[gmx-users] ffamber updates Eric J. Sorin
[gmx-users] gromacs mdrun problems Jonathan Spicer
[gmx-users] Fwd: what is the force function for proper dihedrals David van der Spoel
[gmx-users] charge density of lipid David van der Spoel
[gmx-users] charge density of lipid David van der Spoel
[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 David van der Spoel
[gmx-users] r_list and r_coulomb values while using PME David van der Spoel
[gmx-users] gromacs mdrun problems David van der Spoel
[gmx-users] interaction lists in idef.h David van der Spoel
[gmx-users] FEP David van der Spoel
[gmx-users] electrons.dat for g_density David van der Spoel
[gmx-users] New user, familiar with MD, unfamiliar with GROMACS, want to run simulation of protein in membrane David van der Spoel
[gmx-users] interaction lists in idef.h David van der Spoel
[gmx-users] Parameters of Gold David van der Spoel
[gmx-users] Why Total Energy is positive?? David van der Spoel
[gmx-users] questions about simulation of water/solid interface David van der Spoel
[gmx-users] Problems using mdrun_d David van der Spoel
[gmx-users] infiniband question David van der Spoel
[gmx-users] [Fwd: Quary] David van der Spoel
[gmx-users] freeze groups and com motion David van der Spoel
[gmx-users] g_order utility bug David van der Spoel
[gmx-users] LJ combination David van der Spoel
[gmx-users] g_sas halted David van der Spoel
[gmx-users] Need help: error during installation David van der Spoel
[gmx-users] g_sas halted David van der Spoel
[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? David van der Spoel
[gmx-users] frozen group, pull code and COM motion removal David van der Spoel
[gmx-users] [Fwd: Oueries] David van der Spoel
[gmx-users] Generating a solvent box David van der Spoel
[gmx-users] "check14" and "shuffle" options in grompp command David van der Spoel
[gmx-users] Exclusions for aromatic residues David van der Spoel
[gmx-users] g_anaeig: Segmentation fault David van der Spoel
[gmx-users] about gromacs-osx-intel-3.3.1.dmg David van der Spoel
[gmx-users] Re: Surface Area Algorithm David van der Spoel
[gmx-users] segmentation fault in md David van der Spoel
[gmx-users] area per lipid David van der Spoel
[gmx-users] Re: g_anaeig David van der Spoel
[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 David van der Spoel
[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 David van der Spoel
[gmx-users] stopcom and acc_grps David van der Spoel
[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 David van der Spoel
[gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility David van der Spoel
[gmx-users] Help! A dummy atom definition problem! David van der Spoel
[gmx-users] Solaris x86 instalation problem David van der Spoel
[gmx-users] [Fwd: solaris installation error] David van der Spoel
[gmx-users] Re: about gromacs-osx-intel-3.3.1.dmg David van der Spoel
[gmx-users] problem during converting ".pdb" to ".gro" David van der Spoel
[gmx-users] Applying a Uniform Shear David van der Spoel
[gmx-users] Applying a Uniform Shear David van der Spoel
[gmx-users] xpm2ps -f ss.xpm David van der Spoel
[gmx-users] g_sorient segmenation fault David van der Spoel
[gmx-users] calculation the force of interaction David van der Spoel
[gmx-users] Problem with mdrun! David van der Spoel
[gmx-users] Examples David van der Spoel
[gmx-users] Examples David van der Spoel
[gmx-users] lifetime between pairs of vectors David van der Spoel
[gmx-users] Dihedral angles David van der Spoel
[gmx-users] Dihedral angles David van der Spoel
[gmx-users] ffgmx_lipids folder David van der Spoel
[gmx-users] dynamic cross correlation map David van der Spoel
[gmx-users] re: gmx-users Digest, Vol 41, Issue 56 David van der Spoel
[gmx-users] single vs double precision issues David van der Spoel
[gmx-users] Odd error David van der Spoel
[gmx-users] Odd error David van der Spoel
[gmx-users] dynamic cross correlation map David van der Spoel
[gmx-users] Atomic distances problems using gmxcheck David van der Spoel
[gmx-users] Atomic distances problems using gmxcheck David van der Spoel
[gmx-users] Mmxcheck Messages and Timesteps David van der Spoel
[gmx-users] RE: Neutralising charge distribution David van der Spoel
[gmx-users] g_rdf in fedora core 5 David van der Spoel
[gmx-users] g_dist David van der Spoel
[gmx-users] g_dist David van der Spoel
[gmx-users] installation David van der Spoel
[gmx-users] the mkinl*.c and metacode.c sources David van der Spoel
[gmx-users] make_ndx David van der Spoel
[gmx-users] make_ndx David van der Spoel
[gmx-users] gromacs result David van der Spoel
[gmx-users] Reading XTC files from fortran90 David van der Spoel
[gmx-users] Reading XTC files from fortran90 David van der Spoel
[gmx-users] gromacs 3.3.2 David van der Spoel
[gmx-users] New single thread performance numbers Andrew Stelzer
[gmx-users] Odd error Christopher Stiles
[gmx-users] Odd error Christopher Stiles
[gmx-users] Odd error Christopher Stiles
[gmx-users] Adding two peptides in a water box Triguero, Luciano O
[gmx-users] Adding two peptides in a water box Triguero, Luciano O
[gmx-users] Partial Charge Units in GROMACS. Travis Trudeau
[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 Claus Valka
[gmx-users] nsgrid error Attilio Vargiu
[gmx-users] nsgrid error Attilio Vargiu
[gmx-users] pdb file from prodrg2 cannot be recognized by gromacs? Dallas B. Warren
[gmx-users] Parameters of Gold Dallas B. Warren
[gmx-users] scripting for gromacs ? Dallas B. Warren
[gmx-users] HIV protease dimer Energy minimization-ERROR Dallas B. Warren
[gmx-users] Correlation Matrix Calculation Tsjerk Wassenaar
[gmx-users] Fullerene simulation Tsjerk Wassenaar
[gmx-users] Charge of CH2r atoms in Gromos 53A6 force-field Tsjerk Wassenaar
[gmx-users] Correlation Matrix Calculation Tsjerk Wassenaar
[gmx-users] output of g_covar with -ascii option , and the format of covar.dat Tsjerk Wassenaar
[gmx-users] make_edi command options Tsjerk Wassenaar
[gmx-users] Examples Tsjerk Wassenaar
[gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose Tsjerk Wassenaar
[gmx-users] dynamic cross correlation map Tsjerk Wassenaar
[gmx-users] RE: gmx-users Digest, Vol 41, Issue 61 Tsjerk Wassenaar
[gmx-users] how to remove periodicity when using g_rmsd Tsjerk Wassenaar
[gmx-users] Project trajectory without fitting using g_anaeig Tsjerk Wassenaar
[gmx-users] G_hbond and periodicity Tsjerk Wassenaar
[gmx-users] error in mdrun Tsjerk Wassenaar
[gmx-users] Reading XTC files from fortran90 Tsjerk Wassenaar
[gmx-users] dynamics with toluene as solvent Simba Xiao
[gmx-users] "check14" and "shuffle" options in grompp command WU Yanbin
[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? Yang Ye
[gmx-users] Problems using mdrun_d Yang Ye
[gmx-users] nsgrid error Yang Ye
[gmx-users] nsgrid error Yang Ye
[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? Yang Ye
[gmx-users] [Fwd: Oueries] Yang Ye
[gmx-users] Partial Charge Units in GROMACS. Yang Ye
[gmx-users] "check14" and "shuffle" options in grompp command Yang Ye
[gmx-users] Help! A dummy atom definition problem! Yang Ye
[gmx-users] Help! A dummy atom definition problem! Yang Ye
[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. Yang Ye
[gmx-users] Examples Yang Ye
[gmx-users] perl scripts to convert CHARMM27 files into .tpr Yang Ye
[gmx-users] OPLS parametes for cholesterol Yang Ye
[gmx-users] re: gmx-users Digest, Vol 41, Issue 56 Yang Ye
[gmx-users] dynamic cross correlation map Yang Ye
[gmx-users] OPLS parametes for cholesterol Yang Ye
[gmx-users] Re: Atomic distances problems using gmxcheck (David van der Spoel) Yang Ye
[gmx-users] extract coordinates of selected atoms Yang Ye
[gmx-users] How to move a rigid wall? Yang Ye
[gmx-users] Pbc and Com in simulation video Yang Ye
[gmx-users] Using GROMACS to do colloid simulations Yang Ye
[gmx-users] Recompile GROMACS Yang Ye
[gmx-users] Gromacs for Aerosol Particle Agglomeration Yang Ye
[gmx-users] ANTECHAMBER & GAFF Yang Ye
[gmx-users] g_anaeig: Segmentation fault ZT Yew
[gmx-users] Pbc and Com in simulation video bmmothan at ucalgary.ca
[gmx-users] PMF from AFM pulling bmmothan at ucalgary.ca
[gmx-users] psf 2 top andrea carotti
[gmx-users] about md simulation chiradip chatterjee
[gmx-users] Fwd: what is the force function for proper dihedrals chris.neale at utoronto.ca
[gmx-users] POPC simulation chris.neale at utoronto.ca
[gmx-users] g_densmap per slice gil claudio
[gmx-users] HIV protease dimer Energy minimization-ERROR serdar durdagi
[gmx-users] Recompile GROMACS Rodrigo faccioli
[gmx-users] Parameters of Gold rohit gole
[gmx-users] New user, familiar with MD, unfamiliar with GROMACS, want to run simulation of protein in membrane maria goranovic
[gmx-users] Installation problem on gromacs 3.3.1 during the step make install maria goranovic
[gmx-users] Protein coming out of the box gtroiano at if.usp.br
[gmx-users] Need help: error during installation shyamala iyer
[gmx-users] Trouble Installing GROMACS shyamala iyer
[gmx-users] FEP jacopo.sgrignani at unifi.it
[gmx-users] Pbc and Com in simulation video janne.hirvi at joensuu.fi
[gmx-users] Re: Pbc and Com in simulation video janne.hirvi at joensuu.fi
[gmx-users] HIV protease dimer Energy minimization-ERROR chandran karunakaran
[gmx-users] about gromacs-osx-intel-3.3.1.dmg liang
[gmx-users] Re: about gromacs-osx-intel-3.3.1.dmg liang
[gmx-users] reporting failure luciano.pgomes
[gmx-users] Energy Minimisation problem supti mukherjee
[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 parichita parichita
[gmx-users] topology of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose parichita parichita
[gmx-users] MD simulation of Alpha d-mannopyranosyl (1-6) alpha d-mannopyranose parichita parichita
[gmx-users] RF-excl confusion.... pascal.baillod at epfl.ch
[gmx-users] RF-excl confusion (2).... pascal.baillod at epfl.ch
[gmx-users] the mkinl*.c and metacode.c sources renying
[gmx-users] g_rdf in fedora core 5 root
[gmx-users] [Fwd: Oueries] sebastien santini
[gmx-users] How to use PRODRG to help new user do gromacs? steletch at jouy.inra.fr
[gmx-users] To deshuffle or not to deshuffle, that is a question. steletch at jouy.inra.fr
[gmx-users] Exact continuation run vijaya subramanian
[gmx-users] Exact continuation run vijaya subramanian
[gmx-users] about md simulation amri ta
[gmx-users] about md simulation amri ta
[gmx-users] G_hbond and periodicity tangxuan
[gmx-users] Applying a Uniform Shear toma0052
[gmx-users] Applying a Uniform Shear toma0052
[gmx-users] LINCS error vijay kumar hinge vijay
[gmx-users] re: gmx-users Digest, Vol 41, Issue 56 wangchunlei
[gmx-users] cgnr problems wangcl
[gmx-users] How to move a rigid wall? wendung at umich.edu
[gmx-users] how to set the number behind "d"in "editconf" willting
[gmx-users] interaction lists in idef.h wnoid at hec.utah.edu
[gmx-users] interaction lists in idef.h wnoid at hec.utah.edu
[gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler? liu xin
[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) liu xin
[gmx-users] Atomic distances problems using gmxcheck yudaqi
[gmx-users] Atomic distances problems using gmxcheck yudaqi
[gmx-users] Re: Atomic distances problems using gmxcheck (David van der Spoel) yudaqi
[gmx-users] gromacs result mahbubeh zarrabi
[gmx-users] Why Total Energy is positive?? uki zhu
[gmx-users] Why Total Energy is positive?? uki zhu
[gmx-users] Re: Why Total Energy is positive?? uki zhu

Last message date: Sun Sep 30 22:09:21 CEST 2007
Archived on: Sun Sep 30 22:09:26 CEST 2007

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