November 2005 Archives by author

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Starting: Tue Nov 1 01:28:07 CET 2005
Ending: Wed Nov 30 23:08:25 CET 2005
Messages: 572

[gmx-users] How thick layer of water should one add around aprotein? Mu Yuguang (Dr)
[gmx-users] problems to constructe topology for non-standardresidues Mu Yuguang (Dr)
[gmx-users] implement GB model in gromacs Mu Yuguang (Dr)
[gmx-users] again about the non-standard residue and thank Dr. Mu Mu Yuguang (Dr)
[gmx-users] nanotube! zjh2140 at 163.com
[gmx-users] nanotube and protein! zjh2140 at 163.com
[gmx-users] Fatal error: Atom index (4) in position_restraints out of bounds (1-3) 4tejender
[gmx-users] rlist cutoff question 4tejender
[gmx-users] Question about pull.pdo =?gb2312?B?5bC55L+K?=
[gmx-users] ERROR: can not do Conjugate Gradients with constraints (8709) ???
[gmx-users] what' the mean of the new options in mdp file ???
[gmx-users] prodrg server: getting no response Daan van Aalten
[gmx-users] Phenol topology Daan van Aalten
[gmx-users] installation problem Mark Abraham
[gmx-users] Deprotonation and charging of a non-protein in salt solution Mark Abraham
[gmx-users] installation gromacs 3.3 Mark Abraham
[gmx-users] question: atoms with charges in zwetter ions Mark Abraham
[gmx-users] ATP and ADP topologies for the OPLS force field Mark Abraham
[gmx-users] learning Gromacs Mark Abraham
[gmx-users] Pressure control in Gromacs Mark Abraham
[gmx-users] problem with the pressure Mark Abraham
[gmx-users] Link missing for downloading gromacs 3.3.1 source Mark Abraham
[gmx-users] Link missing for downloading gromacs 3.3.1 source Mark Abraham
[gmx-users] Solvation box size Mark Abraham
[gmx-users] minimization with conjugate gradients(cg) Mark Abraham
[gmx-users] charge distribution Mark Abraham
[gmx-users] setting up mpi code Cesar Araujo
[gmx-users] General Questions abdout gromacs Cesar Araujo
[gmx-users] About MD/MC and source code... Cesar Araujo
[Bulk] [gmx-users] tpbconv to continue a run that has Cesar Araujo
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] Bob Arenburg/Austin/IBM is out of the office. Bob Arenburg
[gmx-users] g_dipoles and charged molecules Marc Baaden
[gmx-users] polarizable water Michael Bajomo
[gmx-users] Polarisable water model Michael Bajomo
[gmx-users] order parameters for unsat. carbons Kia Balali-Mood
[gmx-users] installation gromacs 3.3 Vincent Ballenegger
[gmx-users] installation gromacs 3.3 Vincent Ballenegger
[gmx-users] "Angular" Vs. "Linear" in NVE simulation Antonio Baptista
[gmx-users] "Angular" Vs. "Linear" in NVE simulation Antonio Baptista
[gmx-users] How thick layer of water should one add around aprotein? Oliver Beckstein
[gmx-users] Infinite polymer, pbc=full and LINCS Malin Bergenstråhle
[gmx-users] trjcat Una Bjarnadottir
[gmx-users] Ewald 3dc David L. Bostick
[gmx-users] H bonds energy David L. Bostick
[gmx-users] pme problems in gromacs 3.3 David L. Bostick
[gmx-users] Question About Force Field Monique Brito
[gmx-users] hand made rtp entry: grompp doesn't find the dihedral parameters i included explicitly Michael Brunsteiner
[gmx-users] acceleration - need help Budiono
[gmx-users] rvec definiton Budiono
[gmx-users] compiling error after modification source code Budiono
[gmx-users] changing the code just a little bit (g_density) Marcelo A. Carignano
[gmx-users] changing the code just a little bit (g_density) Marcelo A. Carignano
[gmx-users] changing the code just a little bit (g_density) Marcelo A. Carignano
[gmx-users] -t and -shuffle problem in grompp Eric Carpenter
[gmx-users] Ion parameters Arnau Cordomi
[gmx-users] compiling error and no profiling on power 5 AIX V5.3 Francois-Romain Corradino
[gmx-users] acetonitrile model Anthony Cruz
[gmx-users] CD spectrum Anthony Cruz
[gmx-users] CD spectrum Anthony Cruz
[gmx-users] final configuration Anthony Cruz
[gmx-users] problems building gromacs 3.3 with mpi on MacOS X Michel Cuendet
[gmx-users] Calculate the forces from AFM pulling George Patargias DPhil
[gmx-users] Pull code forces in gmx 3.2.1 George Patargias DPhil
[gmx-users] Negative AFM forces?? George Patargias DPhil
[gmx-users] g_hbond Isabella Daidone
[gmx-users] What is the difference between joined and seperate tem coupling? David
[gmx-users] What is the difference between joined and seperate tem coupling? David
[gmx-users] g_hbond David
[gmx-users] replica exchange David
[gmx-users] replica exchange David
[gmx-users] RNA and water David
[gmx-users] dihedral angle restraints David
[gmx-users] g_dipoles and charged molecules David
[gmx-users] "Angular" Vs. "Linear" in NVE simulation David
[gmx-users] 2x2 or 4 David
[gmx-users] Calculating electric potential in Gromacs David
[gmx-users] time step in gromacs 3.3 David
[gmx-users] ngmx? David
[gmx-users] time step in gromacs 3.3 David
[gmx-users] Is there a way to use diffrent scaling factors for 1-4 interaction? David
[gmx-users] installation gromacs 3.3 David
[gmx-users] Re: Is there a way to use diffrent scaling factors for 1-4 interaction? (David) David
[gmx-users] nanotube! David
[gmx-users] acceleration - need help David
[gmx-users] time step in gromacs 3.3 David
[gmx-users] Problems with PBC and constraints while doing parallel runs David
[gmx-users] H bonds energy David
[gmx-users] Inclusion dynamics David
[gmx-users] H bonds energy David
[gmx-users] mdrun_mpi seg fault if N_atoms/cpu > 4096 ? David
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 26 David
[gmx-users] g_dipoles David
[gmx-users] g_dipoles David
[gmx-users] REMD functionalities David
[gmx-users] beta-amino acids David
[gmx-users] graph edge limit David
[gmx-users] g_dipoles David
[gmx-users] genaral questions David
[gmx-users] genaral questions David
[gmx-users] frustrating NVE David
[gmx-users] Re: frustrating NVE (David) David
[gmx-users] Fatal error: Atom index (4) in position_restraints out of bounds (1-3) David
[gmx-users] free energy calculations blowing up David
[gmx-users] pme problems in gromacs 3.3 David
[gmx-users] pme problems in gromacs 3.3 David
[gmx-users] problems with gromacs angle restraints David
[gmx-users] Re: Free energy blowing up David
[gmx-users] problems with gromacs angle restraints David
[gmx-users] energy analysis David
[gmx-users] g_dipoles David
[gmx-users] Several general questions about correctness of molecular modeling David
[gmx-users] How to mdrun -rerun part of the trajectory David
[gmx-users] AMBER force constants into GROMOS-96 units David
[gmx-users] (no subject) David
[gmx-users] genbox -shell David
[gmx-users] 3.3 more than one settle type David
[gmx-users] Re:genbox -shell David
[gmx-users] polarizable water David
[gmx-users] [Fwd: trjcat] David
[gmx-users] [Fwd: trjcat] David
[gmx-users] wrong calculation of dihedral angle with angle restraint? David
[gmx-users] problem with the pressure David
[gmx-users] version 3.3 - Range checking error David
[gmx-users] version 3.3 - Range checking error David
[gmx-users] question: atoms with charges in zwetter ions Alan Dodd
[gmx-users] (no subject) Alan Dodd
[gmx-users] trjconv and -centre Alan Dodd
[gmx-users] [Fwd: Genbox doubt] Alan Dodd
[Bulk] [gmx-users] tpbconv to continue a run that has finishes Alan Dodd
[gmx-users] final configuration Alan Dodd
[gmx-users] Problem with encad in pdb2gmx, GMX 3.3 CVS version. Posible Bug in ffencads-c.tdb file? Leonardo Sepulveda Durán
[gmx-users] genion to not continuous solvent Diego Enry
[gmx-users] genion to not continuous solvent Diego Enry
[gmx-users] MD runs wrong! Diego Enry
[gmx-users] tpbconv_3.3 after crash Diego Enry
[gmx-users] trjconv, -pbc whole, and Max OS X? Emma Falck
[gmx-users] trjconv, -pbc whole, and Max OS X? Emma Falck
[gmx-users] trjconv, -pbc whole, and Max OS X? Emma Falck
[gmx-users] trjconv, -pbc whole, and Max OS X? Emma Falck
[gmx-users] "Angular" Vs. "Linear" in NVE simulation Xiaobing Feng
[gmx-users] Is there a way to use diffrent scaling factors for 1-4 interaction? Xiaobing Feng
[gmx-users] Re: Is there a way to use diffrent scaling factors for 1-4 interaction? (David) Xiaobing Feng
[gmx-users] "Angular" Vs. "Linear" in NVE simulation Xiaobing Feng
[gmx-users] frustrating NVE Xiaobing Feng
[gmx-users] Re: frustrating NVE (David) Xiaobing Feng
[gmx-users] ClearSpeed Performance and availability Haberl Florian
[gmx-users] General Questions abdout gromacs Haberl Florian
[gmx-users] How thick layer of water should one add around aprotein? Ran Friedman
[gmx-users] mean square fluctuation amplitude Prasad Gajula
[gmx-users] nanotube and protein! Chris Gaughan
[gmx-users] ffamber ports for 3.3.1 Maik Goette
[gmx-users] ffamber port and RNA Maik Goette
[gmx-users] FEP with energy group exclusions Maik Goette
[gmx-users] to Maik Goette about introduction of ZN in proteins. Maik Goette
[gmx-users] what' the mean of the new options in mdp file Florian Haberl
[gmx-users] How to correct incomplete pdb file Florian Haberl
[gmx-users] CFLAGS Florian Haberl
[gmx-users] Link missing for downloading gromacs 3.3.1 source Florian Haberl
[gmx-users] Link missing for downloading gromacs 3.3.1 source Florian Haberl
[gmx-users] setting up mpi code Joanne Hanna
[gmx-users] setting up mpi code Joanne Hanna
[gmx-users] CFLAGS Joanne Hanna
[gmx-users] CFLAGS Joanne Hanna
[gmx-users] CFLAGS Joanne Hanna
[gmx-users] CFLAGS Joanne Hanna
[gmx-users] configuring fftw Joanne Hanna
[gmx-users] version 3.3 - Range checking error Joanne Hanna
[gmx-users] version 3.3 - Range checking error Joanne Hanna
[gmx-users] version 3.3 - Range checking error Joanne Hanna
[gmx-users] version 3.3 - Range checking error Joanne Hanna
[gmx-users] version 3.3 - Range checking error Joanne Hanna
[gmx-users] version 3.3 - Range checking error Joanne Hanna
[gmx-users] version 3.3 - Range checking error Joanne Hanna
[gmx-users] version 3.3 - Range checking error Joanne Hanna
[gmx-users] How thick layer of water should one add around a protein? Mikko Hellgren
[gmx-users] dg/dl unit Berk Hess
[gmx-users] dg/dl unit Berk Hess
[gmx-users] dg/dl unit Berk Hess
[gmx-users] how can I create a fcc cell? Berk Hess
[gmx-users] problems with mdrun_mpi -multi Berk Hess
[gmx-users] Isobaric - isothermal ensemble and Replica Exchange Berk Hess
[gmx-users] problems with mdrun_mpi -multi Berk Hess
[gmx-users] Infinite polymer, pbc=full and LINCS Berk Hess
[gmx-users] Pull code forces in gmx 3.2.1 Berk Hess
[gmx-users] table extension problem Berk Hess
[gmx-users] table extension problem Berk Hess
[gmx-users] Negative AFM forces?? Berk Hess
[gmx-users] Ewald 3dc Janne Hirvi
[gmx-users] Exclusion in PME Janne Hirvi
[gmx-users] Neighbor search and rlist Janne Hirvi
[gmx-users] H bonds energy Robson Honorato
[gmx-users] Inclusion dynamics Robson Honorato
[gmx-users] problems building gromacs 3.3 with mpi on MacOS X 10.4 Jack Howarth
[gmx-users] problems building gromacs 3.3 with mpi on MacOS X Jack Howarth
[gmx-users] problems building gromacs 3.3 with mpi on MacOS X Jack Howarth
[gmx-users] enable mpi in fftw3 build? Jack Howarth
[gmx-users] problems building gromacs 3.3 with mpi on MacOS X Jack Howarth
[gmx-users] shared lib build of lam 7.1.1 on MacOS X 10.4 solved Jack Howarth
[gmx-users] does --with-external-blas --with-external-lapack work? Jack Howarth
[gmx-users] RE: shared lib build of lam 7.1.1 on MacOS X 10.4 solved Jack Howarth
[gmx-users] does --with-external-blas --with-external-lapack work? Jack Howarth
[gmx-users] RE: does --with-external-blas --with-external-lapack work? Jack Howarth
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 5 HR Hu
[gmx-users] problems to constructe topology for non-standard residues HR Hu
[gmx-users] again about the non-standard residue and thank Dr. Mu HR Hu
[gmx-users] generating solvents Jochen Hub
[gmx-users] question about genbox Sven Huttenhouse
[gmx-users] question about genbox Sven Huttenhouse
[gmx-users] question: atoms with charges in zwetter ions Sven Huttenhouse
[gmx-users] genaral questions Sven Huttenhouse
[gmx-users] genaral questions Sven Huttenhouse
[gmx-users] General Questions abdout gromacs Sven Huttenhouse
[gmx-users] General Questions abdout gromacs Sven Huttenhouse
[gmx-users] General Questions abdout gromacs Sven Huttenhouse
[gmx-users] intramolecular /intermolecular forces Sven Huttenhouse
[gmx-users] alkane-aqueous interfacial simulations Jayant James Jayasundar
[gmx-users] alkane-aqueous interfacial simulations Jayant James Jayasundar
[gmx-users] Fourier nx, ny, nz Bob Johnson
[gmx-users] Calculating electric potential in Gromacs Bob Johnson
[gmx-users] Solvation box size Bob Johnson
[gmx-users] mean square displacement of the chain center of mass ARGYRIOS KARATRANTOS
[gmx-users] Ryckaert Bellemans Erol KURTISOVSKI
[gmx-users] want to create .top file from scratch Rahul Karyappa
[gmx-users] How to fix the atom positions? Rahul Karyappa
[gmx-users] errors while runnning x2top command Rahul Karyappa
to Tsjerk Wassenaar Sir Re: Re: [gmx-users] How to fix the atom positions? Rahul Karyappa
[gmx-users] errors while runnning x2top command Rahul Karyappa
[gmx-users] doubt about format of topology file? Rahul Karyappa
[gmx-users] General Questions abdout gromacs Itamar Kass
[gmx-users] question on lipid simulation Itamar Kass
[gmx-users] Interaction between metal. Taeho Kim
[gmx-users] Deprotonation and charging of a non-protein in salt solution Steven Kirk
[gmx-users] Handling of charge field in PDB files by x2top Steven Kirk
[gmx-users] lipid force field Michal Kolinski
[gmx-users] how can I create a fcc cell? Manuel Kremer
[gmx-users] wrong calculation of dihedral angle with angle restraint? Tomas Kubar
[gmx-users] wrong calculation of dihedral angle with angle restraint? Tomas Kubar
[gmx-users] General Questions abdout gromacs Marcus Kubitzki
[gmx-users] C12E4 nonionic surfactant topology Erol Kurtisovski
[gmx-users] General Questions abdout gromacs Peter C. Lai
[gmx-users] input file in umbrella sampling Hwankyu Lee
[gmx-users] What is the difference between joined and seperate tem coupling? Tanping Li
[gmx-users] What is the difference between joined and seperate tem coupling? Tanping Li
[gmx-users] What is the difference between joined and seperate tem coupling? Tanping Li
[gmx-users] What is the difference between joined and seperate tem coupling? Tanping Li
[gmx-users] How to mdrun -rerun part of the trajectory Tanping Li
[gmx-users] How to mutate a residue in protein Tanping Li
[gmx-users] what's the meaning of pbc=no? Dai Liang
[gmx-users] what's the meaning of pbc=no? Dai Liang
[gmx-users] What is the difference between joined and seperate tem coupling? Erik Lindahl
[gmx-users] errors in make/configure Erik Lindahl
[gmx-users] installation problem Erik Lindahl
[gmx-users] binutils Erik Lindahl
[gmx-users] installation problem Erik Lindahl
[gmx-users] installation problem Erik Lindahl
[gmx-users] Fourier nx, ny, nz Erik Lindahl
[gmx-users] setting up mpi code Erik Lindahl
[gmx-users] setting up mpi code Erik Lindahl
[gmx-users] ClearSpeed Performance and availability Erik Lindahl
[gmx-users] CFLAGS Erik Lindahl
[gmx-users] CFLAGS Erik Lindahl
[gmx-users] Infinite polymer, pbc=full and LINCS Erik Lindahl
[gmx-users] problems building gromacs 3.3 with mpi on MacOS X 10.4 Erik Lindahl
[gmx-users] How to correct incomplete pdb file Erik Lindahl
[gmx-users] problems building gromacs 3.3 with mpi on MacOS X Erik Lindahl
[gmx-users] problems building gromacs 3.3 with mpi on MacOS X Erik Lindahl
[gmx-users] trjconv, -pbc whole, and Max OS X? Erik Lindahl
[gmx-users] does --with-external-blas --with-external-lapack work? Erik Lindahl
[gmx-users] does --with-external-blas --with-external-lapack work? Erik Lindahl
[gmx-users] General Questions abdout gromacs Erik Lindahl
[gmx-users] General Questions abdout gromacs Erik Lindahl
[gmx-users] RE: does --with-external-blas --with-external-lapack work? Erik Lindahl
[gmx-users] version for windows Erik Lindahl
[gmx-users] version for windows Erik Lindahl
[gmx-users] [Fwd: Genbox doubt] Erik Lindahl
[gmx-users] New topology problems Cesar Lopez
[gmx-users] Phenol topology MGiò
[gmx-users] dg/dl unit Justin MacCallum
[gmx-users] 2x2 or 4 Alberto Malvezzi
[gmx-users] prodrg server: getting no response Philip Martin
[gmx-users] frozen group Fernando Mattio
[gmx-users] adding molecules - doubt Fernando Mattio
[gmx-users] adding molecules - doubt Fernando Mattio
[gmx-users] adding molecules - doubt Fernando Mattio
[gmx-users] Genbox fatal error Fernando Mattio
[gmx-users] table extension problem Fernando Mattio
[gmx-users] table extension problem Fernando Mattio
[gmx-users] Re: dG/dl David Mobley
[gmx-users] free energy calculations blowing up David Mobley
[gmx-users] free energy calculations blowing up David Mobley
[gmx-users] problems with gromacs angle restraints David Mobley
[gmx-users] free energy calculations blowing up David Mobley
[gmx-users] Re: Free energy blowing up David Mobley
[gmx-users] problems with gromacs angle restraints David Mobley
[gmx-users] problems with gromacs angle restraints David Mobley
[gmx-users] to David Mobley, question about angle restraints David Mobley
[gmx-users] problems with mdrun_mpi -multi David Mobley
[gmx-users] problems with mdrun_mpi -multi David Mobley
[gmx-users] problems with mdrun_mpi -multi David Mobley
[gmx-users] ATP and ADP topologies for the OPLS force field David Mobley
[gmx-users] ATP and ADP topologies for the OPLS force field David Mobley
[gmx-users] problems with mdrun_mpi -multi David Mobley
[gmx-users] General Questions abdout gromacs David Mobley
[gmx-users] topology file and LJ parameters David Mobley
[gmx-users] topology file and LJ parameters David Mobley
[gmx-users] topology file and LJ parameters David Mobley
[gmx-users] Solvation box size David Mobley
[gmx-users] pairlist and nonbonded parameters; a bug? David Mobley
[gmx-users] Polarisable water model David Mobley
[gmx-users] posting an answer to my previous question on how to turn off only intermolecular vdw interactions David Mobley
[gmx-users] Isobaric - isothermal ensemble and Replica Exchange Luca Mollica
[gmx-users] RE: Isobaric - isothermal ensemble and Replica Exchange Luca Mollica
[gmx-users] free energy calculations blowing up Moore, Jonathan (J)
[gmx-users] free energy calculations blowing up Moore, Jonathan (J)
[gmx-users] free energy calculations blowing up Moore, Jonathan (J)
[gmx-users] free energy calculations blowing up Moore, Jonathan (J)
[gmx-users] PME Coulomb Long Range contributions MyTaira
[gmx-users] learning Gromacs Abdullah Nasr
[gmx-users] adding molecules - doubt Osmair Vital de Oliveira
[gmx-users] dg/dl unit Chris Oostenbrink
[gmx-users] non-bonded parameters Chris Oostenbrink
[gmx-users] question about dssp Marco Pasi
[gmx-users] Simulation box explodes Robson Peguin
[gmx-users] replica exchange Xavier Periole
[gmx-users] question about genbox Xavier Periole
[gmx-users] How thick layer of water should one add around a protein? Xavier Periole
[gmx-users] replica exchange Xavier Periole
[gmx-users] alkane-aqueous interfacial simulations Xavier Periole
[gmx-users] What is the difference between joined and seperate tem coupling? Xavier Periole
[gmx-users] CD spectrum Xavier Periole
[gmx-users] replica exchange Nguyen Hoang Phuong
[gmx-users] big protein dynamics with gromacs 3.2.1 Adriana Pietropaolo
[gmx-users] big protein dynamics with gromacs 3.2.1 Adriana Pietropaolo
[gmx-users] big protein dynamics Adriana Pietropaolo
[gmx-users] big protein dynamics Adriana Pietropaolo
[gmx-users] ATP and ADP topologies for the OPLS force field TJ Piggot
[gmx-users] MD runs wrong! Samuel Silva Pita
[gmx-users] Apply now: EMBO course "Proteins: structure, dynamics, energetics" Shanghai Guillem Portella
[gmx-users] g_sas Daniel Rigden
[gmx-users] Calculating electric potential in Gromacs Nathan C. Rockwell
[gmx-users] Handling of charge field in PDB files by x2top Nathan C. Rockwell
[gmx-users] How to correct incomplete pdb file Nathan C. Rockwell
[gmx-users] Problems with PBC and constraints while doing parallel runs George Rydlew
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 26 George Rydlew
[gmx-users] Re: rlist cutoff question Pim Schravendijk
[gmx-users] question on lipid simulation Longzhu Shen
[gmx-users] errors in make/configure Michael Shirts
[gmx-users] dg/dl unit Michael Shirts
[gmx-users] dg/dl unit Michael Shirts
[gmx-users] Re: dG/dl Michael Shirts
[gmx-users] Re: Free energy blowing up Michael Shirts
[gmx-users] mdrun_mpi seg fault if N_atoms/cpu > 4096 ? Atte Sillanpää
[gmx-users] mdrun_mpi seg fault if N_atoms/cpu > 4096 ? Atte Sillanpää
[gmx-users] ffamber ports for 3.3.1 Eric J. Sorin
[gmx-users] ffamber port and RNA Eric J. Sorin
[gmx-users] Link missing for downloading gromacs 3.3.1 source Eric J. Sorin
[gmx-users] replica exchange David van der Spoel
[gmx-users] tpbconv_3.3 after crash David van der Spoel
[gmx-users] nanotube! David van der Spoel
[gmx-users] gromacs3.3 David van der Spoel
[gmx-users] beta-peptide David van der Spoel
[gmx-users] viscosity Calculation David van der Spoel
[gmx-users] rvec definiton David van der Spoel
[gmx-users] question about dssp David van der Spoel
[gmx-users] graph edge limit David van der Spoel
[gmx-users] what's the meaning of pbc=no? David van der Spoel
[gmx-users] [Fwd: found problem in continual run] David van der Spoel
[gmx-users] what's the meaning of pbc=no? David van der Spoel
[gmx-users] Ion parameters David van der Spoel
[gmx-users] compiling error after modification source code David van der Spoel
[gmx-users] Handling of charge field in PDB files by x2top David van der Spoel
[gmx-users] non-bonded parameters David van der Spoel
[gmx-users] CFLAGS David van der Spoel
[gmx-users] want to create .top file from scratch David van der Spoel
[gmx-users] [Fwd: Genbox doubt] David van der Spoel
[gmx-users] version 3.3 - Range checking error David van der Spoel
[gmx-users] PME Coulomb Long Range contributions David van der Spoel
[gmx-users] version 3.3 - Range checking error David van der Spoel
[gmx-users] version 3.3 - Range checking error David van der Spoel
[gmx-users] generate solvents David van der Spoel
[gmx-users] order parameters for unsat. carbons David van der Spoel
[gmx-users] errors while runnning x2top command David van der Spoel
[gmx-users] (no subject) David van der Spoel
[gmx-users] alkane-aqueous interfacial simulations David van der Spoel
[gmx-users] topology file and LJ parameters David van der Spoel
[gmx-users] errors while runnning x2top command David van der Spoel
[gmx-users] mean square fluctuation amplitude David van der Spoel
[gmx-users] g_chi -omega David van der Spoel
[gmx-users] unexpected large difference in potential energy calculation by different method: cut-off and switch David van der Spoel
[gmx-users] intramolecular /intermolecular forces David van der Spoel
[gmx-users] Re:gmx-users Digest, Vol 19, Issue 98 David van der Spoel
[gmx-users] Re: Re: g_chi -omega David van der Spoel
[gmx-users] mean square displacement of the chain center of mass David van der Spoel
[gmx-users] pairlist and nonbonded parameters; a bug? David van der Spoel
[gmx-users] big protein dynamics with gromacs 3.2.1 David van der Spoel
[gmx-users] NVT David van der Spoel
[gmx-users] wierd pressure! David van der Spoel
[gmx-users] Problem with encad in pdb2gmx, GMX 3.3 CVS version. Posible Bug in ffencads-c.tdb file? David van der Spoel
[gmx-users] Simulation in vacuo David van der Spoel
[Fwd: Re: [gmx-users] wierd pressure!] David van der Spoel
[gmx-users] FW: Gromacs version 3.3 David van der Spoel
[gmx-users] big protein dynamics David van der Spoel
[gmx-users] adding molecules - doubt Viswanadham Sridhara
[gmx-users] g_dipoles Viswanadham Sridhara
[gmx-users] g_dipoles Viswanadham Sridhara
[gmx-users] g_dipoles Viswanadham Sridhara
[gmx-users] g_dipoles Viswanadham Sridhara
[gmx-users] g_dipoles Viswanadham Sridhara
[gmx-users] g_dipoles Viswanadham Sridhara
[gmx-users] trjconv, -pbc whole, and Max OS X? Viswanadham Sridhara
[gmx-users] rlist cutoff question Viswanadham Sridhara
[gmx-users] General Questions abdout gromacs Viswanadham Sridhara
[gmx-users] Can I set only a part of a molecule into freeze group? 谭宏伟(Hongwei Tan)
[gmx-users] viscosity Calculation Tandia, Adama
[gmx-users] How to correct incomplete pdb file Hiromichi Tsurui
[gmx-users] How to correct incomplete pdb file Hiromichi Tsurui
[Bulk] Re: [gmx-users] How to correct incomplete pdb file Hiromichi Tsurui
[gmx-users] How to correct incomplete pdb file Hiromichi Tsurui
[gmx-users] How to correct incomplete pdb file Hiromichi Tsurui
[gmx-users] How to correct incomplete pdb file Hiromichi Tsurui
[gmx-users] How thick layer of water should one add around a protein? Marcos Villarreal
[gmx-users] question about genbox Dallas B. Warren
[gmx-users] adding molecules - doubt Dallas B. Warren
[gmx-users] What is the difference between joined and seperate tem coupling? Tsjerk Wassenaar
[gmx-users] question about genbox Tsjerk Wassenaar
[gmx-users] How thick layer of water should one add around a protein? Tsjerk Wassenaar
[gmx-users] question about genbox Tsjerk Wassenaar
[gmx-users] How to correct incomplete pdb file Tsjerk Wassenaar
[gmx-users] list of protein parameters/ properties Tsjerk Wassenaar
[gmx-users] trjconv, -pbc whole, and Max OS X? Tsjerk Wassenaar
[gmx-users] learning Gromacs Tsjerk Wassenaar
[gmx-users] Distance restraints Tsjerk Wassenaar
[gmx-users] changing the code just a little bit (g_density) Tsjerk Wassenaar
[gmx-users] trjconv and -centre Tsjerk Wassenaar
[gmx-users] How to fix the atom positions? Tsjerk Wassenaar
[gmx-users] Phenol topology Tsjerk Wassenaar
[gmx-users] big protein dynamics with gromacs 3.2.1 Tsjerk Wassenaar
[gmx-users] big protein dynamics with gromacs 3.2.1 Tsjerk Wassenaar
[gmx-users] Solvation box size Tsjerk Wassenaar
[gmx-users] big protein dynamics Tsjerk Wassenaar
[gmx-users] FW: Gromacs version 3.3 Wong, RYM (Richard)
[gmx-users] (no subject) Rongliang Wu
[gmx-users] help! Rongliang Wu
[gmx-users] help Rongliang Wu
[gmx-users] Pressure control in Gromacs Rongliang Wu
[gmx-users] tpbconv to continue a run that has finishes Rongliang Wu
[gmx-users] problem with the pressure Rongliang Wu
[gmx-users] generate solvents Rongliang Wu
[gmx-users] generating solvents Rongliang Wu
[gmx-users] equilibriate a solvent Rongliang Wu
[gmx-users] (no subject) Rongliang Wu
[gmx-users] wierd pressure! Rongliang Wu
[gmx-users] minimization with conjugate gradients(cg) Rongliang Wu
[gmx-users] charge distribution Rongliang Wu
[gmx-users] dihedral angle restraints Yujie Wu
[gmx-users] H bonds energy Yujie Wu
[gmx-users] Several general questions about correctness of molecular modeling X.Periole
[gmx-users] RE: Isobaric - isothermal ensemble and Replica Exchange X.Periole
[gmx-users] changing the code just a little bit (g_density) X.Periole
[gmx-users] equilibriate a solvent X.Periole
[gmx-users] (no subject) X.Periole
[gmx-users] time step in gromacs 3.3 Yang Ye
[gmx-users] nanotube! Yang Ye
[gmx-users] time step in gromacs 3.3 Yang Ye
[gmx-users] graph edge limit Yang Ye
[gmx-users] graph edge limit Yang Ye
[gmx-users] graph edge limit Yang Ye
[Bulk] [gmx-users] [Fwd: found problem in continual run] Yang Ye
[gmx-users] -t and -shuffle problem in grompp Yang Ye
[Bulk] Re: [gmx-users] How to correct incomplete pdb file Yang Ye
[gmx-users] non-bonded parameters Yang Ye
[Bulk] [gmx-users] version for windows Yang Ye
[gmx-users] two questions on essential dynamics Yang Ye
[gmx-users] version for windows Yang Ye
[Bulk] [gmx-users] tpbconv to continue a run that has finishes Yang Ye
[gmx-users] version 3.3 - Range checking error Yang Ye
[gmx-users] version 3.3 - Range checking error Yang Ye
[gmx-users] pairlist and nonbonded parameters; a bug? Yang Ye
[gmx-users] QM/MM support in Gromacs V3.3 Dong YuHui
[gmx-users] question about qm/mm Dong Yuhui
[gmx-users] unexpected large difference in potential energy calculation by different method: cut-off and switch Dongsheng Zhang
[gmx-users] g_chi -omega Dongsheng Zhang
[gmx-users] Re: Re: g_chi -omega Dongsheng Zhang
[gmx-users] time step in gromacs 3.3 Qing Zhu
[gmx-users] time step in gromacs 3.3 Qing Zhu
[gmx-users] time step in gromacs 3.3 Qing Zhu
[gmx-users] time step in gromacs 3.3 Qing Zhu
[gmx-users] How to mutate a residue in protein Kai Zhuang
[gmx-users] question about dssp Wang Zhun
[gmx-users] energy analysis Wang Zhun
[gmx-users] what's the meaning of pbc=no? Wang Zhun
[gmx-users] genbox -shell Wang Zhun
[gmx-users] Re:genbox -shell Wang Zhun
[gmx-users] version for windows Wang Zhun
[gmx-users] bug in gmx_potential.c Matt Ziegler
[gmx-users] nanotube! Jian Zou
[gmx-users] B factor asg2000
[gmx-users] order parameter per slice paloureiro at biof.ufrj.br
[gmx-users] g_order problems paloureiro at biof.ufrj.br
[gmx-users] g_order problems paloureiro at biof.ufrj.br
[gmx-users] two questions on essential dynamics paloureiro at biof.ufrj.br
[gmx-users] Retaining only .xtc files and deleting .trr files sunita at chem.iitb.ac.in
[gmx-users] NVT Junfang.Zhang at csiro.au
[gmx-users] REMD functionalities pascal.baillod at epfl.ch
[gmx-users] nanotube and protein! mprabha at fiu.edu
[gmx-users] nanotube and protein! mprabha at fiu.edu
[gmx-users] list of protein parameters/ properties gaurav gupta
[gmx-users] version for windows gaurav gupta
[gmx-users] version for windows gaurav gupta
[gmx-users] Replica Exchange in isobaric - isothermal ensemble mollica.luca at hsr.it
[gmx-users] (no subject) Dhananjay chandrashekhar joshi
[gmx-users] AMBER force constants into GROMOS-96 units chandran karunakaran
[gmx-users] ferroelectrical sangyongliang99 at mails.tsinghua.edu.cn
[gmx-users] Re:gmx-users Digest, Vol 19, Issue 98 sangyongliang99 at mails.tsinghua.edu.cn
[gmx-users] need some top files,thank you sangyongliang99 at mails.tsinghua.edu.cn
[gmx-users] Simulation in vacuo berka at natur.cuni.cz
[gmx-users] pme problems in gromacs 3.3 hseara at netscape.net
[gmx-users] pme problems in gromacs 3.3 hseara at netscape.net
[gmx-users] g_order problems hseara at netscape.net
[gmx-users] g_order problems hseara at netscape.net
[gmx-users] ffamber port and RNA sara pistolesi
[gmx-users] ffamber port and RNA sara pistolesi
(solved) [gmx-users] changing the code just a little bit (g_density) cari at purdue.edu
[gmx-users] Phenol topology deepa rajamani
[gmx-users] Error message with grompp deepa rajamani
[gmx-users] gromacs 3.3 on OS X 10.4 cseager at ucla.edu
[gmx-users] Calculating electric potential in Gromacs diego vallejo
[gmx-users] installation problem vincenzo venditti
[gmx-users] installation problem vincenzo venditti
[gmx-users] installation problem vincenzo venditti
[gmx-users] RNA and water vincenzo venditti
[gmx-users] gromacs3.3 vincenzo venditti
[gmx-users] ERROR: can not do Conjugate Gradients with constraints(8709) vincenzo venditti
[gmx-users] ngmx? luigi.burgi at virgilio.it
R: Re: [gmx-users] ngmx? luigi.burgi at virgilio.it
[gmx-users] Encad problem luigi.burgi at virgilio.it
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 68 wurl04
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 69 wurl04
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 70 wurl04
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 71 wurl04
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 72 wurl04
[gmx-users] Re: gmx-users Digest, Vol 19, Issue 73 wurl04
[gmx-users] what's wrong with my dummy atom definition? leafyoung81-group at yahoo.com
[gmx-users] binutils leafyoung81-group at yahoo.com
[gmx-users] genion to not continuous solvent leafyoung81-group at yahoo.com
[gmx-users] can not do Conjugate Gradients with constraints? leafyoung81-group at yahoo.com
[gmx-users] MD runs wrong! leafyoung81-group at yahoo.com
[gmx-users] ffamber port and RNA leafyoung81-group at yahoo.com
[gmx-users] replica exchange rob yang
[gmx-users] replica exchange rob yang
[gmx-users] dg/dl unit rob yang
[gmx-users] replica exchange rob yang
[gmx-users] replica exchange rob yang
[gmx-users] replica exchange rob yang
[gmx-users] non-bonded parameters nk yx
[gmx-users] 3.3 more than one settle type nk yx
[gmx-users] command or script? zhurx
[gmx-users] WARNING: Don't know the best CFLAGS for this system zhurx
[gmx-users] to Maik Goette about introduction of ZN in proteins. Иванов Миша
[gmx-users] to David Mobley, question about angle restraints Иванов Миша
[gmx-users] Several general questions about correctness of molecular modeling Иванов Миша
[gmx-users] learning Gromacs Иванов Миша
[gmx-users] Distance restraints Иванов Миша
[gmx-users] version for windows Иванов Миша
[gmx-users] what's wrong with my dummy atom definition? 吴显辉
[gmx-users] cg error in the cationic dummy atom system! 吴显辉
[gmx-users] can not do Conjugate Gradients with constraints? 吴显辉
[gmx-users] can anyone give me a copy of dummy atom itp file? 吴显辉
[gmx-users] nanotube! 周俊红
[gmx-users] error in g_enemat 孔韧
[gmx-users] (no subject) 龚新奇_Steven

Last message date: Wed Nov 30 23:08:25 CET 2005
Archived on: Thu Nov 14 12:02:26 CET 2013

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