August 2006 Archives by author

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Starting: Tue Aug 1 00:01:50 CEST 2006
Ending: Thu Aug 31 21:07:03 CEST 2006
Messages: 493

[gmx-users] output energies by group Mu Yuguang (Dr)
[gmx-users] output energies by group Mu Yuguang (Dr)
[gmx-users] output energies by group Mu Yuguang (Dr)
RE: Θέμα: Re: [gmx-users] cyclic peptides Mu Yuguang (Dr)
[gmx-users] free energy: annihilation Mu Yuguang (Dr)
[gmx-users] PME usage in 3.3 & g_energy: doubt ? Gerrit Groenhof (RUG)
[gmx-users] what is "MPI process rank 0 (n0, p18041) caught a SIGSEGV" Gerrit Groenhof (RUG)
[gmx-users] Vacuum simulation problem Gerrit Groenhof (RUG)
[gmx-users] vacuum simulation problem Gerrit Groenhof (RUG)
[gmx-users] Zinc parameters Mark Abraham
[gmx-users] output energies by group Mark Abraham
[gmx-users] Converting OPLS_AA to gromacs Mark Abraham
[gmx-users] Re: Variable ci yet-Samuel's problem! Mark Abraham
[gmx-users] Hi.. Mark Abraham
[gmx-users] Porting CHARMM topologies and parameters Mark Abraham
[gmx-users] Hi .. Mark Abraham
[gmx-users] Porting CHARMM topologies and parameters Mark Abraham
[gmx-users] what error! Mark Abraham
[gmx-users] a question on the -sed, trjconv output & g_order Mark Abraham
[gmx-users] remd ... is it exchanging? Mark Abraham
[gmx-users] Req for computer config for windows to run gromacs Mark Abraham
[gmx-users] parallel in duals? Jones de Andrade
[gmx-users] Re: parallel in duals? Jones de Andrade
[gmx-users] Re: parallel in duals? Jones de Andrade
[gmx-users] Zinc parameters Shushkov Andrey
[gmx-users] theory of MD Alexandre Suman de Araujo
[gmx-users] Disulphide bonds Cesar Araujo
[gmx-users] Disulphide bonds Cesar Araujo
[gmx-users] histidine (HISB) planarity Anthony Armstrong
[gmx-users] simulation at particular pH Marc Baaden
[gmx-users] Solvating with glycerol Arneh Babakhani
[gmx-users] Constrained MD questions Arneh Babakhani
[gmx-users] AFM Pulling Arneh Babakhani
[gmx-users] AFM Pulling Arneh Babakhani
[gmx-users] re. missing atoms Kia Balali-Mood
[gmx-users] mmff94 with gmx Carsten Baldauf
[gmx-users] entries in ffG53a6nb.itp Carsten Baldauf
[gmx-users] remd ... is it exchanging? Carsten Baldauf
[gmx-users] remd ... is it exchanging? Carsten Baldauf
[gmx-users] remd ... is it exchanging? Carsten Baldauf
[gmx-users] Question about angle constraints Qiao Baofu
[gmx-users] simulation at particular pH Antonio Baptista
[gmx-users] QM/MM Pradip Kumar Biswas
[gmx-users] QM/MM method used Pradip Kumar Biswas
[gmx-users] segmentation fault when using g_hbond Una Bjarnadottir
[gmx-users] QM/MM Antonio Sergio Kimus Braz
[gmx-users] QM/MM method used Re: QM/MM (Pradip Kumar Biswas) Antonio Sergio Kimus Braz
[gmx-users] trjconv problem Marc Bruning
[gmx-users] norleucine topology Marc Bruning
[gmx-users] Configuration on an IBM power computer Christian Burisch
[gmx-users] isomerization with RB diheadrals MURAT CETINKAYA
[gmx-users] pdb2gmx error MURAT CETINKAYA
[gmx-users] RE: pdb2gmx error MURAT CETINKAYA
[gmx-users] Attempting small molecule . . . Esther Caballero-Manrique
[gmx-users] theory of MD Esther Caballero-Manrique
[gmx-users] Attempting small molecule . . . Marc Charendoff
[gmx-users] More on small molecule attempt... Marc Charendoff
[gmx-users] Sorry, More on small molecule attempt... Marc Charendoff
[gmx-users] Sigh . . . Protonating PDB for PRODRG Marc Charendoff
[gmx-users] Topology Manipulation question Marc Charendoff
[gmx-users] Thanks to Giovanna! Now, exploding system . . . Marc Charendoff
[gmx-users] This may be it, but what to do? Marc Charendoff
[gmx-users] Box vector question Marc Charendoff
[gmx-users] Text Editor Got Me. . . Marc Charendoff
[gmx-users] Partial Charges PM3 ? Marc Charendoff
[gmx-users] water shell model Luciano Costa
[gmx-users] g_hbond Chinmay Das
[gmx-users] g_hbond Chinmay Das
[gmx-users] g_hbond Chinmay Das
[gmx-users] g_hbond Chinmay Das
[gmx-users] RMSD Dhananjay
[gmx-users] RMSD Dhananjay
[gmx-users] position restraints crashing Alan Dodd
[gmx-users] position restraints crashing Alan Dodd
[gmx-users] position restraints crashing Alan Dodd
[gmx-users] position restraints crashing Alan Dodd
[gmx-users] output energies by group Diego Enry
[gmx-users] functionalized surface: counter ions ? PME or RF. Diego Enry
[gmx-users] Toplogy file FAD and ADP! Esther
[gmx-users] Variable ci problem! Esther
[gmx-users] Hen egg white lysozyme. Esther
[gmx-users] AFM pulling for PMF calculation Nickle Fan
[gmx-users] Problems with the Dihedral of the Ethanol Eudes Fileti
[gmx-users] Label of the atoms in ffoplsaabon.itp Eudes Fileti
[gmx-users] Re: gmx-users Digest, Vol 28, Issue 16 Eudes Fileti
[gmx-users] Benzene and normal modes Eudes Fileti
[gmx-users] How can I separates only the statistically independent configutation? Eudes Fileti
[gmx-users] Uncorrelated configurations Eudes Fileti
[gmx-users] Re: gmx-users Digest, Vol 28, Issue 42 Eudes Fileti
[gmx-users] thanks Eudes Fileti
[gmx-users] problem with ambconv Diane Fournier
[gmx-users] problem with ambconv Diane Fournier
[gmx-users] Ligand binding energy using LIE with PME Diane Fournier
[gmx-users] steroid topology Diane Fournier
[gmx-users] Ligand binding energy using LIE with PME Diane Fournier
RE : [gmx-users] *.xvg to jpeg/pdf/png Diane Fournier
[gmx-users] *.xvg to jpeg/pdf/png Arindam Ganguly
[gmx-users] Beta Sheet folding simulation Arindam Ganguly
[gmx-users] Question about phospholipid monolayer on a water/air interface Sergio Garay
[gmx-users] Question about phospholipid monolayer on a water/air interface... Sergio Garay
[gmx-users] gfortran and gromacs-3.3.1 Jeffrey Gardner
[gmx-users] Rdf -cn option question Andrey V. Golovin
[gmx-users] functionalized surface: counter ions ? PME or RF Gomes, Diego Enry B
[gmx-users] simulation at particular pH Gerrit Groenhof
[gmx-users] nr2nametop Florian Haberl
[gmx-users] renumtop Florian Haberl
[gmx-users] Folding at Home on PS3 == Gromacs on PS3? Florian Haberl
[gmx-users] Req for computer config for windows to run gromacs Florian Haberl
[gmx-users] Deshuffling atoms vs. residues Jerome Henin
[gmx-users] Failed to allocated u bytes of aligned memory (mdrun) Jerome Henin
[gmx-users] Deshuffling atoms vs. residues Jerome Henin
[gmx-users] Porting CHARMM topologies and parameters Jerome Henin
[gmx-users] Porting CHARMM topologies and parameters Jerome Henin
[gmx-users] problem using pairtypes 2, 3 for free-energy decoupling Berk Hess
[gmx-users] histidine (HISB) planarity Berk Hess
[gmx-users] AFM pulling Berk Hess
[gmx-users] histidine (HISB) planarity >> how about Trp? Berk Hess
[gmx-users] Measuring dihedral energy of various selections Berk Hess
[gmx-users] [Fwd: Energy conservation] Janne Hirvi
[gmx-users] Gravity in MD-simulations Janne Hirvi
[gmx-users] trjconv problem Jochen Hub
[gmx-users] editconf Jochen Hub
[gmx-users] Box vector question Jochen Hub
[gmx-users] OPLS-AA Charge Calculation Jochen Hub
[gmx-users] AFM pulling Susanna Hug
[gmx-users] AFM pulling Susanna Hug
[gmx-users] g_dipoles and fluctuation of the total dipole moment Guido Humpert
[gmx-users] g_dipoles and fluctuation of the total dipolemoment Guido Humpert
[gmx-users] trr and xtc specification Martin Höfling
[gmx-users] Measuring dihedral energy of various selections Bob Johnson
[gmx-users] mesoscopic Bose condensation (mBC) in water and biosystems Alex Kaivarainen
[gmx-users] GROMACS on Ubunto Itamar Kass
[gmx-users] GROMACS on Ubunto Itamar Kass
[gmx-users] GROMACS on Ubunto Itamar Kass
[gmx-users] editconf Itamar Kass
[gmx-users] protein in bilayer Itamar Kass
[gmx-users] more than one settle type? Samantha Kaye
[gmx-users] SWM4-DP (Roux group polarizable water model) .itp file needed Steven Kirk
[gmx-users] Making two defaults sections compatible Steven Kirk
[gmx-users] Configuration on an IBM power computer Volker Knecht
[gmx-users] Failed to allocated u bytes of aligned memory (mdrun) Carsten Kutzner
[gmx-users] Failed to allocated u bytes of aligned memory (mdrun) Carsten Kutzner
[gmx-users] what error! chiloo Laohpongspaisan
[gmx-users] Energy Minimization nan && WARNING 1 [file "blah.itp", line 1020]: No default G96Angle types, using zeroes Joern Lenz
[gmx-users] Re: Energy Minimization nan && WARNING 1 [file "blah.itp", line 1020]: No default G96Angle types, using zeroes Joern Lenz
[gmx-users] WARNING: all CONECT records are ignored Joern Lenz
[gmx-users] bond between protein and DNA Joern Lenz
[gmx-users] bond between protein and DNA Joern Lenz
[gmx-users] bond between protein and DNA Joern Lenz
[gmx-users] Failed to allocated u bytes of aligned memory (mdrun) Erik Lindahl
[gmx-users] gfortran and gromacs-3.3.1 Erik Lindahl
[gmx-users] Label of the atoms in ffoplsaabon.itp Erik Lindahl
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Erik Lindahl
[gmx-users] problems generating hessian matrix Erik Lindahl
[gmx-users] GROMACS on Ubunto Erik Lindahl
[gmx-users] entries in ffG53a6nb.itp Erik Lindahl
[gmx-users] histidine (HISB) planarity >> how about Trp? Erik Lindahl
[gmx-users] This may be it, but what to do? Erik Lindahl
[gmx-users] theory of MD Erik Lindahl
[gmx-users] Folding at Home on PS3 == Gromacs on PS3? Erik Lindahl
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. Erik Lindahl
[gmx-users] Kindly read this one, Apologies for the previous mail. Pedro Alexandre Lapido Loureiro
[gmx-users] Kindly read this one, Apologies for the previous mail. Pedro Alexandre Lapido Loureiro
[gmx-users] langevin dynamics Edgar Luttmann
[gmx-users] Topology Manipulation question MGiò
[gmx-users] periodic boundary condition MGiò
[gmx-users] Thanks to Giovanna! Now, exploding system . . . MGiò
[gmx-users] Folding at Home on PS3 == Gromacs on PS3? Paul van Maaren
[gmx-users] what is "MPI process rank 0 (n0, p18041) caught a SIGSEGV" ? Mahnam
[gmx-users] what is "MPI process rank 0 (n0, p18041) caught a SIGSEGV" Mahnam
[gmx-users] cyclic peptides Efi Mantzourani
Θέμα: Re: [gmx-users] cyclic peptides Efi Mantzourani
Θέμα: [gmx-users] *.xvg to jpeg/pdf/png Efi Mantzourani
Θέμα: Re: Θέμα: Re: [gmx-users] cyclic peptides Efi Mantzourani
[gmx-users] g_dipoles and fluctuation of the total dipole moment Erik Marklund
[gmx-users] segmentation fault when using g_hbond Erik Marklund
[gmx-users] segmentation fault when using g_hbond Erik Marklund
[gmx-users] Vacuum simulation problem Erik Marklund
[gmx-users] g_hbond Erik Marklund
[gmx-users] contact Erik Marklund
[gmx-users] Hi.. Erik Marklund
[gmx-users] Measuring dihedral energy of various selections Erik Marklund
[gmx-users] g_hbond Erik Marklund
[gmx-users] g_hbond Erik Marklund
[gmx-users] Questions about water in Gromacs Erik Marklund
[gmx-users] problems with energy minimization Martin
[gmx-users] protein in bilayer Milan Melichercik
[gmx-users] problem using pairtypes 2, 3 for free-energy decoupling David Mobley
[gmx-users] Long range interaction energy of charged particles with PME - GMX 3.3.1 David Mobley
[gmx-users] Distance restraints David Mobley
[gmx-users] problem with ambconv David Mobley
[gmx-users] Hen egg white lysozyme. David Mobley
[gmx-users] help with distance restraints David Mobley
[gmx-users] problem with ambconv David Mobley
[gmx-users] Ligand binding energy using LIE with PME David Mobley
[gmx-users] Re: [gmx-revision] Bug in minimization with long range David Mobley
[gmx-users] *.xvg to jpeg/pdf/png David Mobley
[gmx-users] Measuring dihedral energy of various selections David Mobley
[gmx-users] Folding at Home on PS3 == Gromacs on PS3? David Mobley
[gmx-users] abbreviations in pdb files David Mobley
[gmx-users] free energy: annihilation David Mobley
[gmx-users] free energy: annihilation David Mobley
[gmx-users] free energy: annihilation David Mobley
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. David Mobley
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. David Mobley
[gmx-users] free energy: annihilation David Mobley
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. David Mobley
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. David Mobley
[gmx-users] PME usage in 3.3 & g_energy: doubt ? Luca Mollica
[gmx-users] PME usage in 3.3 & g_energy: doubt ? Luca Mollica
[gmx-users] g_hbond Moore, Jonathan (J)
[gmx-users] g_hbond Moore, Jonathan (J)
[gmx-users] Failed to allocated u bytes of aligned memory (mdrun) PAUL NEWMAN
[gmx-users] Failed to allocated u bytes of aligned memory (mdrun) PAUL NEWMAN
[gmx-users] Langevin dynamics ( Large VCM ) PAUL NEWMAN
[gmx-users] Fene and Quartic Potential PAUL NEWMAN
[gmx-users] OPLS-AA Charge Calculation Nagy, Peter I.
[gmx-users] regarding comm_mode Naser, Md Abu
[gmx-users] Error using g_dih: Fatal error: Dihedral around 19, 21 not found in topology Vanessa Oklejas
[gmx-users] Unnatural amino acids- modifying topology files Vanessa Oklejas
[gmx-users] Distance restraints Owen, Michael
[gmx-users] help with distance restraints Owen, Michael
[gmx-users] problems generating hessian matrix Nima S Panahi
[gmx-users] Which Lipid Bilayer for GPCR Simulations Akshay Patny
[gmx-users] sample MDP files for gradual heating Akshay Patny
[gmx-users] Folding at Home on PS3 == Gromacs on PS3? Sabuj Pattanayek
[gmx-users] Which Lipid Bilayer for GPCR Simulations Xavier Periole
[gmx-users] position restraints crashing Xavier Periole
[gmx-users] OPLS-AA Charge Calculation TJ Piggot
[gmx-users] Topolgy file FAD and ADP! Samuel Silva Pita
[gmx-users] Toplogy file FAD and ADP! Samuel Silva Pita
[gmx-users] Variable ci problem! Samuel Silva Pita
[gmx-users] Variable ci problem! Samuel Silva Pita
[gmx-users] Variable ci yet! Samuel Silva Pita
[gmx-users] published work on MD timescales/biological motions Daniel Rigden
[gmx-users] Pressure coupling appears to produce errors on the P655+ aix 5.2 Arthur Roberts
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Arthur Roberts
[gmx-users] help with distance restraints Arthur Roberts
[gmx-users] simulation at particular pH Arthur Roberts
[gmx-users] Configuration on an IBM power computer Arthur Roberts
[gmx-users] Question about scaling charges Arthur Roberts
[gmx-users] pdb2gmx and ignh Frisco Rose
[gmx-users] problem using pairtypes 2, 3 for free-energy decoupling Alexey Shaytan
[gmx-users] Electrostatics of Rigid Water Justin M. Shorb
[gmx-users] Re: Re: Re: Electrostatics of Rigid Water Justin M. Shorb
[gmx-users] NMA, oplsaa, charmm, constraints Justin M. Shorb
[gmx-users] histidine (HISB) planarity >> how about Trp? Shirley Siu
RES: [gmx-users] covalent linkage with protein Elias Ramos de Souza
[gmx-users] Re: simulation at particular pH Vojtěch Spiwok
[gmx-users] g_dipoles and fluctuation of the total dipole moment David van der Spoel
[gmx-users] Disulphide bonds David van der Spoel
[gmx-users] missing atoms David van der Spoel
[gmx-users] Deshuffling atoms vs. residues David van der Spoel
[gmx-users] parallel in duals? David van der Spoel
[gmx-users] PME usage in 3.3 & g_energy: doubt ? David van der Spoel
[gmx-users] Re: parallel in duals? David van der Spoel
[gmx-users] Deshuffling atoms vs. residues David van der Spoel
[gmx-users] Long range interaction energy of charged particles with PME - GMX 3.3.1 David van der Spoel
[gmx-users] Re: parallel in duals? David van der Spoel
[gmx-users] Pressure coupling appears to produce errors on the P655+ aix 5.2 David van der Spoel
[gmx-users] gfortran and gromacs-3.3.1 David van der Spoel
[gmx-users] [Fwd: Energy conservation] David van der Spoel
[gmx-users] [Fwd: Energy conservation] David van der Spoel
[gmx-users] Problems with the Dihedral of the Ethanol David van der Spoel
[gmx-users] g_hbond account dieletric medium ? David van der Spoel
[gmx-users] g_hbond account dieletric medium ? David van der Spoel
[gmx-users] g_dipoles and fluctuation of the total dipolemoment David van der Spoel
[gmx-users] Re: gmx-users Digest, Vol 28, Issue 16 David van der Spoel
[gmx-users] Electrostatics of Rigid Water David van der Spoel
[gmx-users] output energies by group David van der Spoel
[gmx-users] output energies by group David van der Spoel
[gmx-users] Benzene and normal modes David van der Spoel
[gmx-users] Re: Re: Re: Electrostatics of Rigid Water David van der Spoel
[gmx-users] Error using g_dih: Fatal error: Dihedral around 19, 21 not found in topology David van der Spoel
[gmx-users] problems generating hessian matrix David van der Spoel
[gmx-users] GROMACS on Ubunto David van der Spoel
[gmx-users] GROMACS on Ubunto David van der Spoel
[gmx-users] vacuum simulation problem David van der Spoel
[gmx-users] g_hbond David van der Spoel
[gmx-users] Variable ci yet! David van der Spoel
[gmx-users] g_hbond David van der Spoel
[gmx-users] g_hbond David van der Spoel
[gmx-users] Re: g_hbond David van der Spoel
[gmx-users] Box is exploding! David van der Spoel
[gmx-users] Fene and Quartic Potential David van der Spoel
[gmx-users] amide/imidic acid transition in Asparagine David van der Spoel
Fwd: [gmx-users] Hen egg white lysozyme. David van der Spoel
回复： Re: [gmx-users] Is 2D projection in g_anaeig David van der Spoel
回复： Re: 回复： Re: [gmx-users] Is 2D projection in g_anaeig David van der Spoel
[gmx-users] gromacs-3.3.1 installation problem David van der Spoel
[gmx-users] comm_mode David van der Spoel
[gmx-users] gromacs-3.3.1 installation problem David van der Spoel
[gmx-users] Uncorrelated configurations David van der Spoel
[gmx-users] Re: gmx-users Digest, Vol 28, Issue 42 David van der Spoel
[gmx-users] The file David van der Spoel
[gmx-users] Re: Variable ci yet-Samuel's problem! David van der Spoel
[gmx-users] pdb2gmx error David van der Spoel
[gmx-users] water shell model David van der Spoel
Fwd: [gmx-users] Hen egg white lysozyme. David van der Spoel
[gmx-users] Hi.. David van der Spoel
[gmx-users] trr and xtc specification David van der Spoel
[gmx-users] Porting CHARMM topologies and parameters David van der Spoel
[gmx-users] Hi .. David van der Spoel
[gmx-users] Hi .. David van der Spoel
[gmx-users] cyclic peptides David van der Spoel
[gmx-users] Re: Energy Minimization nan && WARNING 1 [file "blah.itp", line 1020]: No default G96Angle types, using zeroes David van der Spoel
[gmx-users] Porting CHARMM topologies and parameters David van der Spoel
[gmx-users] invcuo and solvent simulation David van der Spoel
Θέμα: Re: [gmx-users] cyclic peptides David van der Spoel
[gmx-users] Porting CHARMM topologies and parameters David van der Spoel
[gmx-users] Re: [gmx-revision] Bug in minimization with long range David van der Spoel
[gmx-users] what error! David van der Spoel
[gmx-users] functionalized surface: counter ions ? PME or RF. David van der Spoel
[gmx-users] Porting CHARMM topologies and parameters David van der Spoel
[gmx-users] Measuring dihedral energy of various selections David van der Spoel
Θέμα: Re: Θέμα: Re: [gmx-users] cyclic peptides David van der Spoel
[gmx-users] norleucine topology David van der Spoel
[gmx-users] RMSD David van der Spoel
[gmx-users] RMSD David van der Spoel
[gmx-users] Is there any bug in gromacs v3.3 g_order analysis tool? David van der Spoel
[gmx-users] Pobability of conformational distributions! David van der Spoel
[gmx-users] g_order David van der Spoel
回复： Re: [gmx-users] Pobability of conformational distributions! David van der Spoel
[gmx-users] SWM4-DP (Roux group polarizable water model) .itp file needed David van der Spoel
[gmx-users] Questions about water in Gromacs David van der Spoel
[gmx-users] Solvating with glycerol David van der Spoel
[gmx-users] WARNING: all CONECT records are ignored David van der Spoel
[gmx-users] bond between protein and DNA David van der Spoel
[gmx-users] How to use deprotonated Cys David van der Spoel
[gmx-users] Questions about water in Gromacs David van der Spoel
[gmx-users] Serinprotease inhibited by DFP David van der Spoel
[gmx-users] bond between protein and DNA David van der Spoel
[gmx-users] How to use deprotonated Cys David van der Spoel
[gmx-users] Unnatural amino acids- modifying topology files David van der Spoel
[gmx-users] How to use deprotonated Cys David van der Spoel
[gmx-users] bond between protein and DNA David van der Spoel
[gmx-users] free energy: annihilation David van der Spoel
[gmx-users] Making two defaults sections compatible David van der Spoel
[gmx-users] more than one settle type? David van der Spoel
[gmx-users] free energy: annihilation David van der Spoel
[gmx-users] The water model with tip5p in gromos96 David van der Spoel
[gmx-users] Problem with trjconv centering after fitting David van der Spoel
[gmx-users] problems with energy minimization David van der Spoel
[gmx-users] remd ... is it exchanging? David van der Spoel
[gmx-users] remd ... is it exchanging? David van der Spoel
[gmx-users] remd ... is it exchanging? David van der Spoel
[gmx-users] Configuration on an IBM power computer David van der Spoel
[gmx-users] which vdwradii in pqr coming from editconf -mead ?? David van der Spoel
[gmx-users] Req for computer config for windows to run gromacs David van der Spoel
[gmx-users] Gravity in MD-simulations David van der Spoel
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. David van der Spoel
[gmx-users] free energy: annihilation David van der Spoel
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. David van der Spoel
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. David van der Spoel
[gmx-users] clarification on configuration error: configure: error: conditional "am__fastdepCXX" was never defined. David van der Spoel
[gmx-users] Sorting pdb file. David van der Spoel
[gmx-users] Question about angle constraints David van der Spoel
[gmx-users] Hen egg white lysozyme. Viswanadham Sridhara
[gmx-users] Hen egg white lysozyme. Viswanadham Sridhara
Fwd: [gmx-users] Hen egg white lysozyme. Viswanadham Sridhara
Fwd: [gmx-users] Hen egg white lysozyme. Viswanadham Sridhara
Fwd: [gmx-users] Hen egg white lysozyme. Viswanadham Sridhara
[gmx-users] User specified Potential Functions Tandia, Adama
[gmx-users] How to use deprotonated Cys Alpay Temiz
[gmx-users] Questions about water in Gromacs Jianhui Tian
[gmx-users] Questions about water in Gromacs Jianhui Tian
[gmx-users] how to calculate prot-ligand interaction energy Rajaram V
[gmx-users] how to calculate prot-ligand interaction energy Rajaram V
[gmx-users] Req for computer config for windows to run gromacs Shvetsow Alexey V.
[gmx-users] Hi.. Navratna Vajpai
[gmx-users] Hi.. Navratna Vajpai
[gmx-users] Hi.. Navratna Vajpai
[gmx-users] Hi.. Navratna Vajpai
[gmx-users] Hi .. Navratna Vajpai
[gmx-users] Hi .. Navratna Vajpai
[gmx-users] Hi .. Navratna Vajpai
[gmx-users] Partial Charges PM3 ? Hugo Verli
[gmx-users] lipid order parameter Marcos Villarreal
[gmx-users] own forcefield and pairs Lubos Vrbka
[gmx-users] sample MDP files for gradual heating Dallas B. Warren
[gmx-users] Measuring dihedral energy of various selections Dallas B. Warren
[gmx-users] This may be it, but what to do? Dallas B. Warren
[gmx-users] Questions about water in Gromacs Dallas B. Warren
[gmx-users] pdb2gmx and ignh Tsjerk Wassenaar
[gmx-users] covalent linkage with protein Tsjerk Wassenaar
[gmx-users] More on small molecule attempt... Tsjerk Wassenaar
[gmx-users] Sorry, More on small molecule attempt... Tsjerk Wassenaar
[gmx-users] clusters [4Fe-4S]+2 Tsjerk Wassenaar
[gmx-users] edit specbond.dat file Tsjerk Wassenaar
[gmx-users] Problem with trjconv centering after fitting Tsjerk Wassenaar
[gmx-users] trjconv problem Bjoern Windshuegel
[gmx-users] trjconv problem Bjoern Windshuegel
[gmx-users] position restraints crashing Steffen Wolf
[gmx-users] position restraints crashing Steffen Wolf
[gmx-users] lipid order parameter X.Periole
[gmx-users] g_hbond account dieletric medium ? X.Periole
[gmx-users] gromacs-3.3.1 installation problem Chenyue Xing
[gmx-users] gromacs-3.3.1 installation problem Chenyue Xing
[gmx-users] amide/imidic acid transition in Asparagine Jiancong Xu
[gmx-users] Porting CHARMM topologies and parameters Yang Ye
[gmx-users] Porting CHARMM topologies and parameters Yang Ye
Θέμα: [gmx-users] *.xvg to jpeg/pdf/png Yang Ye
[gmx-users] channel size calculation between active site lid Serge Yefimov
[gmx-users] Box is exploding! Absalom Zamorano
[gmx-users] Langevin dynamics ( Large VCM ) Dongsheng Zhang
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Dongsheng Zhang
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Dongsheng Zhang
[gmx-users] mdrun hangs on nodes of P655+ aix 5.2 Dongsheng Zhang
[gmx-users] segmentation fault Dongsheng Zhang
[gmx-users] free energy Zuo Zhili
[gmx-users] Re: g_hbond Jian Zou
[gmx-users] Re: g_hbond Jian Zou
[gmx-users] Question about phospholipid monolayer on a water/air interface... paloureiro at biof.ufrj.br
[gmx-users] lipid order parameter paloureiro at biof.ufrj.br
[gmx-users] Serinprotease inhibited by DFP mmblum at bpc.uni-frankfurt.de
[gmx-users] Vacuum simulation problem anwar at cdfd.org.in
[gmx-users] vacuum simulation problem anwar at cdfd.org.in
[gmx-users] Re: gmx-users Digest, Vol 28, Issue 28 anwar at cdfd.org.in
[gmx-users] comm_mode anwar at cdfd.org.in
[gmx-users] regarding comm_mode anwar at cdfd.org.in
[gmx-users] invcuo and solvent simulation anwar at cdfd.org.in
[gmx-users] periodic boundary condition anwar at cdfd.org.in
[gmx-users] Re: gmx-users Digest, Vol 28, Issue 63 anwar at cdfd.org.in
[gmx-users] theory of MD anwar at cdfd.org.in
[gmx-users] steroid topology dhruva chakravorty
[gmx-users] steroid topology dhruva chakravorty
[gmx-users] Re: steroid topology dhruva chakravorty
[gmx-users] which vdwradii in pqr coming from editconf -mead ?? pascal.baillod at epfl.ch
[gmx-users] g_wham errors Robert fiske
[gmx-users] simulation at specific ph mprabha at fiu.edu
[gmx-users] covalent linkage with protein mprabha at fiu.edu
[gmx-users] renumtop mprabha at fiu.edu
[gmx-users] nr2nametop mprabha at fiu.edu
[gmx-users] incorporating fluorescent probes onto a protein jayant_jacques
[gmx-users] Measuring dihedral energy of various selections kobi
[gmx-users] Measuring dihedral energy of various selections kobi
[gmx-users] ForceField for SDPC(sphingomyelin) linfu
[gmx-users] missing atoms ninoo mani
[gmx-users] norleucine topology merc mertens
[gmx-users] protein in bilayer merc mertens
[gmx-users] simulation at particular pH luisa pugliese
[gmx-users] abbreviations in pdb files jtomlins at purdue.edu
[gmx-users] g_hbond account dieletric medium ? raja
[gmx-users] g_hbond account dieletric medium ? raja
[gmx-users] g_hbond account dieletric medium ? raja
[gmx-users] g_hbond account dieletric medium ? raja
[gmx-users] channel size calculation between active site lid raja
[gmx-users] Ploting xvg file in R statistic package raja
[gmx-users] How to treat CSD residue in protein raja
[gmx-users] How to use deprotonated Cys raja
[gmx-users] How to use deprotonated Cys raja
[gmx-users] How to use deprotonated Cys raja
[gmx-users] How to use deprotonated Cys raja
[gmx-users] Req for computer config for windows to run gromacs raja
[gmx-users] Req for computer config for windows to run gromacs raja
[gmx-users] Req for computer config for windows to run gromacs raja
[gmx-users] The file Elias santos
[gmx-users] clusters [4Fe-4S]+2 Elias santos
[gmx-users] conections Fe-S(Cys) Elias santos
[gmx-users] edit specbond.dat file Elias santos
[gmx-users] langevin dynamics pim schravendijk
[gmx-users] Error on Deform zhaolf at sjtu.edu.cn
[gmx-users] octahedron and trr andrea spitaleri
[gmx-users] lipid order parameter priyanka srivastava
[gmx-users] lipid order parameter priyanka srivastava
[gmx-users] NPAT priyanka srivastava
[gmx-users] Kindly read this one, Apologies for the previous mail. priyanka srivastava
[gmx-users] Kindly read this one, Apologies for the previous mail. priyanka srivastava
[gmx-users] Gromacs 3.3 & g_order priyanka srivastava
[gmx-users] Gromacs 3.3 & g_order priyanka srivastava
[gmx-users] a question on the -sed, trjconv output & g_order priyanka srivastava
[gmx-users] Is there any bug in gromacs v3.3 g_order analysis tool? priyanka srivastava
[gmx-users] Is there any bug in gromacs v3.3 g_order analysis tool? priyanka srivastava
[gmx-users] NAN in g_order analysis!! priyanka srivastava
[gmx-users] g_order priyanka srivastava
[gmx-users] Problem with trjconv centering after fitting chris.neale at utoronto.ca
[gmx-users] Problem with trjconv centering after fitting chris.neale at utoronto.ca
[gmx-users] OPLS and Berger lipids a la Tieleman 2006 chris.neale at utoronto.ca
[gmx-users] Sorting pdb file. Sheeja vasudevan
[gmx-users] Sorting pdb file. Sheeja vasudevan
[gmx-users] contact mahbubeh zarrabi
[gmx-users] editconf mahbubeh zarrabi
[gmx-users] editconf mahbubeh zarrabi
[gmx-users] protein in bilayer mahbubeh zarrabi
[gmx-users] protein in bilayer mahbubeh zarrabi
回复： Re: [gmx-users] Is 2D projection xi zhao
回复： Re: 回复： Re: [gmx-users] Is 2D projection in g_anaeig xi zhao
[gmx-users] Pobability of conformational distributions! xi zhao
回复： Re: [gmx-users] Pobability of conformational distributions! xi zhao
[gmx-users] How to set up a surface in Gromacs? 李德昌
[gmx-users] Converting OPLS_AA to gromacs 이 선주
[gmx-users] The water model with tip5p in gromos96 主月：）
[gmx-users] tip4p or 5p 主月：）

Last message date: Thu Aug 31 21:07:03 CEST 2006
Archived on: Thu Nov 14 12:03:09 CET 2013

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