November 2008 Archives by author

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Starting: Sat Nov 1 01:38:19 CET 2008
Ending: Sun Nov 30 16:04:06 CET 2008
Messages: 800

[gmx-users] the temperature effect in the simulation Mu Yuguang (Dr)
[gmx-users] pair forces Mark Abraham
[gmx-users] pdb file Mark Abraham
[gmx-users] Gromacs 4 for SunOS Mark Abraham
[gmx-users] Re: Persistent crashes due to unsettled waters Mark Abraham
[gmx-users] surface simulation Mark Abraham
[gmx-users] surface simulation Mark Abraham
[gmx-users] help- ionic liquid Mark Abraham
[gmx-users] running a simulation without production Mark Abraham
[gmx-users] doubt about the ffencadv.rtp Mark Abraham
[gmx-users] how to carry out the NEMD with gromacs to compute the shear viscosity Mark Abraham
[gmx-users] Accessing the distance_restraints energy term Mark Abraham
[gmx-users] problem in em.mdp file Mark Abraham
[gmx-users] problem in prest.mdp file Mark Abraham
[gmx-users] Compiling Gromacs 4 using Intel Compilers Mark Abraham
[gmx-users] way to cap C-terminal as CONH2 Mark Abraham
[gmx-users] running a simulation without production Mark Abraham
[gmx-users] mdp file Mark Abraham
[gmx-users] rmsd on homologous protein structure Mark Abraham
[gmx-users] how much ns Mark Abraham
[gmx-users] How does GROAMCS handle PME with non-zero charge Mark Abraham
[gmx-users] missing of methyl at N-terminal Mark Abraham
[gmx-users] Water model => amber port to gromacs Mark Abraham
[gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96) Mark Abraham
[gmx-users] Misunderstandings with g_rms Mark Abraham
[gmx-users] Spatial distribution Mark Abraham
[gmx-users] missing of methyl at N-terminal Mark Abraham
[gmx-users] mdp file Mark Abraham
[gmx-users] freeze group gives Segmentation fault Mark Abraham
[gmx-users] g_rms Mark Abraham
[gmx-users] Re: High frequency output slow down the simulation? Mark Abraham
[gmx-users] position restraint and pdb Mark Abraham
[gmx-users] position restraint and pdb Mark Abraham
[gmx-users] Re: High frequency output slow down the simulation? Mark Abraham
[gmx-users] Water model => amber port to gromacs ? => OR Only SPC ? Mark Abraham
[gmx-users] topology Mark Abraham
[gmx-users] posre.itp Mark Abraham
[gmx-users] adding NH2 cap to C terminal Mark Abraham
[gmx-users] missing of methyl at N-terminal Mark Abraham
[gmx-users] [Fwd: Water model => amber port to gromacs ? => OR] Mark Abraham
[gmx-users] adding NH2 cap to C terminal Mark Abraham
[gmx-users] files to modify to add NH2 cap at C terminal end Mark Abraham
[gmx-users] Re: Spatial distibution Mark Abraham
[gmx-users] Gromacs-4.0.2 is out Mark Abraham
[gmx-users] gromacs parallel problem Mark Abraham
[gmx-users] gro file Mark Abraham
[gmx-users] replicating a view in pymol for multiple files Mark Abraham
[gmx-users] Gromacs 4 Scaling Benchmarks... Mark Abraham
[gmx-users] compilation of gmx-4.0.2 Mark Abraham
[gmx-users] xdrf Fortran program and g_traj Mark Abraham
[gmx-users] question on diffusion during MD Mark Abraham
[gmx-users] Library file ffG43a1.n2t not found Mark Abraham
[gmx-users] how to write .top file for a rigid molecule Mark Abraham
[gmx-users] distance restrain Mark Abraham
[gmx-users] Gromacs 4 Scaling Benchmarks... Mark Abraham
[gmx-users] Warning in compiling GMX4.0.2 Mark Abraham
[gmx-users] Warning in compiling GMX4.0.2 Mark Abraham
[gmx-users] GROMACS on Bluegene Mark Abraham
[gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used? Mark Abraham
[gmx-users] GROMACS on Bluegene Mark Abraham
[gmx-users] problem with FFTW installation Mark Abraham
[gmx-users] can't find fftw3f library Mark Abraham
[gmx-users] lamboot command problem Mark Abraham
[gmx-users] g_hbond seems to detect different hbonds in the same trajectory Mark Abraham
[gmx-users] Re: Re: .top Mark Abraham
[gmx-users] segmentation fault during test set Mark Abraham
[gmx-users] Constraints - PMF - Different Molecules Mark Abraham
[gmx-users] NO such a molecule type Mark Abraham
[gmx-users] [Fwd: [FFTW-announce] FFTW 3.2 is released] Mark Abraham
[gmx-users] NO such a molecule type Mark Abraham
[gmx-users] Re: Constraints - PMF - Different Molecules (Mark Abraham) Mark Abraham
[gmx-users] Where to find the debugged versions of gromacs ? Mark Abraham
[gmx-users] Problems with ion names in OPLS and gromacs 4.0.2 Mark Abraham
[gmx-users] Re: Constraints - PMF - Different Molecules Mark Abraham
[gmx-users] Constraints - PMF - Different Molecules Mark Abraham
[gmx-users] Gromacs Installation troubles Mark Abraham
[gmx-users] GRACE installation Mark Abraham
[gmx-users] test particle insertion Mark Abraham
[gmx-users] operating system Mark Abraham
[gmx-users] operating system Mark Abraham
[gmx-users] Gromacs Installation troubles Mark Abraham
[gmx-users] Re: how to turn off the interamolecular interaction Mark Abraham
[gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System Mark Abraham
[gmx-users] Gromacs Installation troubles Mark Abraham
[gmx-users] Re: how to turn off the interamolecular interaction Mark Abraham
[gmx-users] Re: how to turn off the interamolecular interaction Mark Abraham
[gmx-users] Replica exchange temp. distribution Mark Abraham
[gmx-users] Re: how to turn off the interamolecular interaction Mark Abraham
[gmx-users] Re: how to turn off the interamolecular interaction Mark Abraham
[gmx-users] Re: how to turn off the interamolecular interaction Mark Abraham
[gmx-users] Replica exchange temp. distribution Mark Abraham
[gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System Mark Abraham
[gmx-users] Pulling in 4.0 - Any documentation? Mark Abraham
[gmx-users] Complete list of all interaction energies Mark Abraham
[gmx-users] free software to save a trajektorie as a movie? Mark Abraham
[gmx-users] sedoheptulose Mark Abraham
[gmx-users] Re: how to turn off the interamolecular interaction Mark Abraham
[gmx-users] Calculating the time for existence of h-bond Mark Abraham
[gmx-users] duplicate a molecule Mark Abraham
[gmx-users] Calculating the time for existence of h-bond Mark Abraham
[gmx-users] OPLSAA parameters Mark Abraham
[gmx-users] OPLSAA parameters Mark Abraham
[gmx-users] OPLSAA parameters Mark Abraham
[gmx-users] OPLSAA parameters Mark Abraham
[gmx-users] course grain model for DNA Mark Abraham
[gmx-users] ligand protein complex with ffamber99 Mark Abraham
[gmx-users] average radius of gyration Mark Abraham
[gmx-users] peptide goes out of box after md simulation Mark Abraham
[gmx-users] RE: Normal mode analysis Mark Abraham
[gmx-users] average radius of gyration Mark Abraham
[gmx-users] how many pairs are exchanged in replica exchange Mark Abraham
[gmx-users] Using double precision files with single precision version Mark Abraham
[gmx-users] SMP/Parallel mdrun Mark Abraham
[gmx-users] SMP/Parallel mdrun Mark Abraham
[gmx-users] trr format file Mark Abraham
[gmx-users] defination of cluster Mark Abraham
[gmx-users] Fatal error with grompp(with detail process) Mark Abraham
[gmx-users] print out the velocities and forces using template.c Mark Abraham
Sv: Re: [gmx-users] surface simulation Peter Ahlström
[gmx-users] problems with editconf 4.0 Alan
[gmx-users] Re: ligand protein complex with ffamber99 Alan
[gmx-users] ionic liquid Jones de Andrade
[gmx-users] editconf/genbox problem in Gromacs 4.0 Caterina Arcangeli
[gmx-users] editconf/genbox problem in Gromacs 4.0 Caterina Arcangeli
[gmx-users] editconf/genbox problem in Gromacs 4.0 Caterina Arcangeli
[gmx-users] Problems with grompp and posre.itp in gromacs 4.0 Nuno Azoia
[gmx-users] Problems with grompp and posre.itp in gromacs 4.0 Nuno Azoia
[gmx-users] Problems with grompp and posre.itp in gromacs 4.0 Nuno Azoia
[gmx-users] x2top Nuno Azoia
[gmx-users] x2top Nuno Azoia
[gmx-users] Cutoff Parameters Soumik Banerjee
[gmx-users] g_hbond seems to detect different hbonds in the same trajectory Jean-Paul Becker
[gmx-users] running a simulation without production Zuzana Benkova
[gmx-users] running a simulation without production Zuzana Benkova
[gmx-users] running a simulation without production Zuzana Benkova
[gmx-users] running a simulation without production Zuzana Benkova
[gmx-users] partial charges, editconf -grasp Una Bjarnadottir
[gmx-users] LJ + Buckingham + shell models Jean-Francois Boily
[gmx-users] energy group exclusions - are forces calculated? Michael Brunsteiner
[gmx-users] bad box in protein.gro Alessandro Casoni
[gmx-users] bad box in protein.gro Alessandro Casoni
[gmx-users] Re: how to show dodecahedron box in VMD Alessandro Casoni
[gmx-users] Gromacs-4.0.2 is out Suman Chakrabarty
[gmx-users] GROMACS on Bluegene Suman Chakrabarty
[gmx-users] GROMOS with SPC/E water? Suman Chakrabarty
[gmx-users] GROMOS with SPC/E water? Suman Chakrabarty
[gmx-users] Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System Suman Chakrabarty
[gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System Suman Chakrabarty
[gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System Suman Chakrabarty
[gmx-users] GRACE installation Suman Chakrabarty
[gmx-users] operating system Suman Chakrabarty
[gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System Suman Chakrabarty
[gmx-users] Re: how to turn off the interamolecular interaction Suman Chakrabarty
[gmx-users] Incorrect download link in the Gromacs homepage Suman Chakrabarty
[gmx-users] Gromacs-4.0.2: energy minimization error in parallel version Suman Chakrabarty
[gmx-users] Gromacs-4.0.2: energy minimization error in parallel version Suman Chakrabarty
[gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s. Suman Chakrabarty
[gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s. Suman Chakrabarty
[gmx-users] Analyzing a trajectory split over multiple files Suman Chakrabarty
[gmx-users] Extracting the water molecules in hydration layer Suman Chakrabarty
[gmx-users] trr format file Suman Chakrabarty
[gmx-users] Analyzing a trajectory split over multiple files Suman Chakrabarty
[gmx-users] Analyzing a trajectory split over multiple files Suman Chakrabarty
[gmx-users] the Temperature in the mdp.file David Chan
[gmx-users] temperature coupling strength Seunghyun Chung
[gmx-users] Relationship between temperature, molecular velocity, and intramolecular potential Seunghyun Chung
[gmx-users] question on diffusion during MD Ramon Crehuet
[gmx-users] .itp file for cyclohexane (gromos96 FF) Isabella Daidone
[gmx-users] Gromacs 4 for SunOS DimitryASuplatov
[gmx-users] gromacs-4: statring in parallel on solaris 8 DimitryASuplatov
[gmx-users] gromacs-4: statring in parallel on solaris 8 DimitryASuplatov
[gmx-users] Header present but cannot be compiled DimitryASuplatov
[gmx-users] Re: Header present but cannot be compiled DimitryASuplatov
[gmx-users] Problem with setting vsite=aromatics on OPLSAA DimitryASuplatov
[gmx-users] RE: Problem with setting vsite=aromatics on OPLSAA DimitryASuplatov
[gmx-users] Misunderstandings with g_rms DimitryASuplatov
[gmx-users] gmxtest error: Only 44 energies in the log file DimitryASuplatov
[gmx-users] Problems with ion names in OPLS and gromacs 4.0.2 DimitryASuplatov
[gmx-users] Problems with ion names in OPLS and gromacs 4.0.2 DimitryASuplatov
[gmx-users] Removing water molecules from inside of the protein DimitryASuplatov
[gmx-users] Incuding position restraints DimitryASuplatov
[gmx-users] conjugate gradient with dummies DimitryASuplatov
[gmx-users] g_order post - 3.3.1 (yes, again). Alan Dodd
[gmx-users] Pulling in 4.0 - Any documentation? Semen Esilevsky
[gmx-users] Pulling in 4.0 - Any documentation? Semen Esilevsky
[gmx-users] List of all bonds form tpr file? Semen Esilevsky
[gmx-users] List of all bonds form tpr file? Semen Esilevsky
[gmx-users] List of all bonds form tpr file? Semen Esilevsky
[gmx-users] Persistent crashes due to unsettled waters Aaron Fafarman
[gmx-users] Re: Persistent crashes due to unsettled waters Aaron Fafarman
[gmx-users] Constraints - PMF - Different Molecules Eudes Fileti
[gmx-users] Re: Constraints - PMF - Different Molecules (Mark Abraham) Eudes Fileti
[gmx-users] Re: Constraints - PMF - Different Molecules Eudes Fileti
[gmx-users] Re: Constraints - PMF - Different Molecules (Mark Abraham/Arthur Roberts) Eudes Fileti
[gmx-users] How long should I run a free energy simulation Eudes Fileti
[gmx-users] Re: How long should I run a free energy simulation Eudes Fileti
[gmx-users] more than 12 triclinic correction vecotrs Jörn-Holger Franke
[gmx-users] more than 12 triclinic correction vecotrs Jörn-Holger Franke
[gmx-users] rmsd on homologous protein structure Ran Friedman
[gmx-users] Versions of analysis programs Ran Friedman
[gmx-users] trr format file Luca De Gaetani
[gmx-users] Gromacs Installation troubles Nicholas Geraedts
[gmx-users] Gromacs Installation troubles Nicholas Geraedts
[gmx-users] Gromacs Installation troubles Nicholas Geraedts
[gmx-users] FFTW problem for Gromacs4 Anirban Ghosh
[gmx-users] problem Bhawana Gupta
[gmx-users] problem in em.mdp file Bhawana Gupta
[gmx-users] problem in prest.mdp file Bhawana Gupta
[gmx-users] how much ns Bhawana Gupta
[gmx-users] problem Bhawana Gupta
[gmx-users] how much ns-one more question Bhawana Gupta
[gmx-users] missing of methyl at N-terminal Bhawana Gupta
[gmx-users] missing of methyl at N-terminal Bhawana Gupta
[gmx-users] prodrg Bhawana Gupta
[gmx-users] about porse.itp Bhawana Gupta
[gmx-users] position restraint and pdb Bhawana Gupta
[gmx-users] posre.itp Bhawana Gupta
[gmx-users] missing of methyl at N-terminal Bhawana Gupta
[gmx-users] gro file Bhawana Gupta
[gmx-users] .top file Bhawana Gupta
[gmx-users] Re: Re: .top Bhawana Gupta
[gmx-users] grace/xmgace Bhawana Gupta
[gmx-users] peptide goes out of box after md simulation Bhawana Gupta
[gmx-users] gromacs 4.0 -np parameter? SLIM H.A.
[gmx-users] gmx-users at gromacs.org H.J.Risselada
[gmx-users] Repeating the simulation Q. Y. HUAN
[gmx-users] Repeating the simulation Q. Y. HUAN
[gmx-users] GRACE installation Q. Y. HUAN
[gmx-users] radial density graph and moment of inertia Q. Y. HUAN
[gmx-users] average radius of gyration Q. Y. HUAN
[gmx-users] average radius of gyration Q. Y. HUAN
[gmx-users] trjcat error Q. Y. HUAN
[gmx-users] trjcat problems Q. Y. HUAN
[gmx-users] no density option in g_energy Q. Y. HUAN
[gmx-users] no density option in g_energy Q. Y. HUAN
[gmx-users] defination of cluster Q. Y. HUAN
[gmx-users] Re: Re: defination of cluster Q. Y. HUAN
[gmx-users] Re: gmx-users Digest, Vol 55, Issue 150 Q. Y. HUAN
[gmx-users] RE: defination of cluster Q. Y. HUAN
[gmx-users] grace/xmgace Florian Haberl
[gmx-users] Compiling Gromacs 4 using Intel Compilers Mike Hanby
[gmx-users] problem with openmpi and gromacs4.0 Mike Hanby
[gmx-users] Test Set for Gromacs 4? Mike Hanby
[gmx-users] Gromacs 4 Scaling Benchmarks... Mike Hanby
[gmx-users] FFTW problem for Gromacs4 Mike Hanby
[gmx-users] GROMACS on Bluegene Mike Hanby
[gmx-users] GROMACS on Bluegene Mike Hanby
[gmx-users] GROMACS on Bluegene Mike Hanby
[gmx-users] pdb file He, Yang
[gmx-users] the mdp file He, Yang
[gmx-users] the mdp file He, Yang
[gmx-users] mdp file He, Yang
[gmx-users] mdp file He, Yang
[gmx-users] the Temperature in the mdp.file He, Yang
[gmx-users] the Temperature in the mdp.file He, Yang
[gmx-users] the temperature effect in the simulation He, Yang
[gmx-users] the temperature effect in the simulation He, Yang
[gmx-users] the temperature effect in the simulation He, Yang
[gmx-users] course grain model for DNA He, Yang
[gmx-users] course grain model for DNA He, Yang
[gmx-users] course grain model for DNA He, Yang
[gmx-users] course grain model for DNA He, Yang
[gmx-users] periodic boundary conditions in g_rdf Berk Hess
[gmx-users] gromacs-4: statring in parallel on solaris 8 Berk Hess
[gmx-users] Problems of test particle insertion with gromacs 4.0 Berk Hess
[gmx-users] vsite problem in gromacs 4.0 Berk Hess
[gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU Berk Hess
[gmx-users] Problem with setting vsite=aromatics on OPLSAA Berk Hess
[gmx-users] RE: Problem with setting vsite=aromatics on OPLSAA Berk Hess
[gmx-users] RE: vsite problem in gromacs 4.0 Berk Hess
[gmx-users] grompp error Berk Hess
[gmx-users] Re: writing checkpoint Berk Hess
[gmx-users] more than 12 triclinic correction vecotrs Berk Hess
[gmx-users] Re: writing checkpoint Berk Hess
[gmx-users] Problems with grompp and posre.itp in gromacs 4.0 Berk Hess
[gmx-users] Problems with grompp and posre.itp in gromacs 4.0 Berk Hess
[gmx-users] Error with editconf 4.0 Berk Hess
[gmx-users] trjconv -f .cpt -s .tpr -o .gro Berk Hess
[gmx-users] RE: vsite problem in gromacs 4.0 Berk Hess
[gmx-users] Problem with setting vsite=aromatics on OPLSAA Berk Hess
[gmx-users] RE: vsite problem in gromacs 4.0 Berk Hess
[gmx-users] problem with openmpi and gromacs4.0 Berk Hess
[gmx-users] editconf/genbox problem in Gromacs 4.0 Berk Hess
[gmx-users] editconf/genbox problem in Gromacs 4.0 Berk Hess
[gmx-users] freeze group gives Segmentation fault Berk Hess
[gmx-users] continuation options Berk Hess
[gmx-users] GROMOS with SPC/E water? Berk Hess
[gmx-users] error: triclinic skew factor - number of DD cells Berk Hess
[gmx-users] error: triclinic skew factor - number of DD cells Berk Hess
[gmx-users] Wrong calculation of runtime Berk Hess
[gmx-users] Wrong calculation of runtime Berk Hess
[gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error Berk Hess
[gmx-users] Replica exchange temp. distribution Berk Hess
[gmx-users] Pulling in 4.0 - Any documentation? Berk Hess
[gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error Berk Hess
[gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error Berk Hess
[gmx-users] large charge group Berk Hess
[gmx-users] large charge group Berk Hess
[gmx-users] problems with editconf 4.0 Berk Hess
[gmx-users] parallelization error? gromacs-4.0.2 Berk Hess
[gmx-users] parallelization error? gromacs-4.0.2 Berk Hess
[gmx-users] OPLSAA parameters Berk Hess
[gmx-users] OPLSAA parameters Berk Hess
[gmx-users] OPLSAA parameters Berk Hess
[gmx-users] Gromacs-4.0.2: energy minimization error in parallel version Berk Hess
[gmx-users] problem in gromacs 4? Berk Hess
[gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define Berk Hess
[gmx-users] Using double precision files with single precision version Berk Hess
[gmx-users] List of all bonds form tpr file? Berk Hess
[gmx-users] List of all bonds form tpr file? Berk Hess
[gmx-users] SMP/Parallel mdrun Berk Hess
[gmx-users] Bugs in gromacs 4 Berk Hess
[gmx-users] List of all bonds form tpr file? Berk Hess
[gmx-users] PME-user for electrostatics Berk Hess
[gmx-users] Box vector shifts number in x and y/z dimension Berk Hess
[gmx-users] How to calculate virial in gromacs-4.0? Berk Hess
[gmx-users] (no subject) Kwee Hong
[gmx-users] Downloading DSSP onto iMAC Kwee Hong
[gmx-users] DPPC simulations Jenny Hsu
[gmx-users] DPPC simulations Jenny Hsu
[gmx-users] Fatal error with grompp(with detail process) Jenny Hsu
[gmx-users] Fatal error with grompp(with detail process) Jenny Hsu
[gmx-users] Repeating the simulation Jochen Hub
[gmx-users] problem in prest.mdp file Jochen Hub
[gmx-users] Misunderstandings with g_rms Jochen Hub
[gmx-users] problems with editconf 4.0 Jochen Hub
[gmx-users] Bugs in gromacs 4 Jochen Hub
[gmx-users] problem Martin Höfling
[gmx-users] can't find "distclean" Martin Höfling
[gmx-users] can't find "distclean" Martin Höfling
[gmx-users] GMX_MAXCONSTWARN variable Martin Höfling
[gmx-users] Gromacs 4 Scaling Benchmarks... Martin Höfling
[gmx-users] Gromacs 4 Scaling Benchmarks... Martin Höfling
[gmx-users] free software to save a trajektorie as a movie? Martin Höfling
[gmx-users] flood of gmx's mails in my mailbox Pathumwadee Intharathep
[gmx-users] position and distance restrain Pathumwadee Intharathep
[gmx-users] distance restrain Pathumwadee Intharathep
[gmx-users] Gromacs 4 Scaling Benchmarks... Yawar JQ
[gmx-users] PME-user for electrostatics Argyrios Karatrantos
[gmx-users] FATAL ERROR: x2top Morteza Khabiri
[gmx-users] NO such a molecule type Morteza Khabiri
[gmx-users] NO such a molecule type Morteza Khabiri
[gmx-users] No such a molecule Morteza Khabiri
[gmx-users] How does GROAMCS handle PME with non-zero charge Himanshu Khandelia
[gmx-users] rmsd on homologous protein structure Tatsiana Kirys
Re: Re: [gmx-users] rmsd on homologous protein structure Tatsiana Kirys
[gmx-users] g_rms Tatsiana Kirys
[gmx-users] g_rms Tatsiana Kirys
[gmx-users] sedoheptulose Bernhard Knapp
[gmx-users] sedoheptulose Bernhard Knapp
[gmx-users] problem in gromacs 4? Bernhard Knapp
[gmx-users] x2top Bernhard Knapp
[gmx-users] Re:Re: x2top Bernhard Knapp
[gmx-users] question about default parameter for g_hbond Andreas Kring
[gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU Andreas Kring
[gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU Andreas Kring
[gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU Andreas Kring
[gmx-users] About the gromacs 4.0 manual and parallel running Andreas Kring
[gmx-users] MD run, polarizable molecules, EM did not converge Andreas Kring
[gmx-users] Charges in SW water model Andreas Kring
[gmx-users] Running MDS over docked poses Kukol, Andreas
[gmx-users] .mdp file Kukol, Andreas
[gmx-users] sedoheptulose Kukol, Andreas
[gmx-users] problem with lamboot Carsten Kutzner
[gmx-users] Fwd: still problem with lamboot Carsten Kutzner
[gmx-users] Gromacs 4 Scaling Benchmarks... Carsten Kutzner
[gmx-users] Gromacs 4 Scaling Benchmarks... Carsten Kutzner
[gmx-users] [Fwd: [FFTW-announce] FFTW 3.2 is released] Carsten Kutzner
[gmx-users] about PMF calculation chiloo Laohpongspaisan
[gmx-users] RE: vsite problem in gromacs 4.0 Daniel Larsson
[gmx-users] RE: vsite problem in gromacs 4.0 Daniel Larsson
[gmx-users] problem with openmpi and gromacs4.0 Daniel Larsson
[gmx-users] continuation options Daniel Larsson
[gmx-users] continuation options Daniel Larsson
[gmx-users] Re: Sorry Alif M Latif
[gmx-users] large charge group Sunjoo Lee
[gmx-users] Re: gmx-users Digest, Vol 55, Issue 106 Sunjoo Lee
[gmx-users] Re: High frequency output slow down the simulation? Jussi Lehtola
[gmx-users] Gromacs-4.0.2 is out Jussi Lehtola
[gmx-users] FFTW problem for Gromacs4 Jussi Lehtola
[gmx-users] Gromacs Installation troubles Jussi Lehtola
[gmx-users] operating system Jussi Lehtola
[gmx-users] Gromacs Installation troubles Jussi Lehtola
[gmx-users] operating system Jussi Lehtola
[gmx-users] Gromacs Installation troubles Jussi Lehtola
[gmx-users] Gromacs Installation troubles Jussi Lehtola
[gmx-users] Gromacs Installation troubles Jussi Lehtola
[gmx-users] Persistent crashes due to unsettled waters Justin A. Lemkul
[gmx-users] Re: Sorry Justin A. Lemkul
[gmx-users] Martini ff. Justin A. Lemkul
[gmx-users] seek for forcefield parameters Justin A. Lemkul
[gmx-users] CCl4 parameters problem Justin A. Lemkul
[gmx-users] CCl4 parameters Justin A. Lemkul
[gmx-users] g_potential Justin A. Lemkul
[gmx-users] gromacs-4: statring in parallel on solaris 8 Justin A. Lemkul
[gmx-users] partial charges, editconf -grasp Justin A. Lemkul
[gmx-users] the mdp file Justin A. Lemkul
[gmx-users] Problems with grompp and posre.itp in gromacs 4.0 Justin A. Lemkul
[gmx-users] the mdp file Justin A. Lemkul
[gmx-users] the mdp file Justin A. Lemkul
[gmx-users] the mdp file Justin A. Lemkul
[gmx-users] tip3p.itp => OWT3, HW vs. ffG53a6nb.itp => OW, H Justin A. Lemkul
[gmx-users] Problems with grompp and posre.itp in gromacs 4.0 Justin A. Lemkul
[gmx-users] Problems with grompp and posre.itp in gromacs 4.0 Justin A. Lemkul
[gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96) Justin A. Lemkul
[gmx-users] Re: density vs time? Justin A. Lemkul
[gmx-users] Re: density vs time? Justin A. Lemkul
[gmx-users] Re: density vs time? Justin A. Lemkul
[gmx-users] Re: density vs time? Justin A. Lemkul
[gmx-users] Re: density vs time? Justin A. Lemkul
[gmx-users] Error with editconf 4.0 Justin A. Lemkul
[gmx-users] way to cap C-terminal as CONH2 Justin A. Lemkul
[gmx-users] Interactions between tow chains of a protein Justin A. Lemkul
[gmx-users] Re: .xtc file is incomplete Justin A. Lemkul
[gmx-users] weird behavior of genion in gromacs4 Justin A. Lemkul
[gmx-users] Re: .xtc file is incomplete Justin A. Lemkul
[gmx-users] missing of methyl at N-terminal Justin A. Lemkul
[gmx-users] prodrg Justin A. Lemkul
[gmx-users] about porse.itp Justin A. Lemkul
[gmx-users] Running MDS over docked poses Justin A. Lemkul
[gmx-users] Water model => amber port to gromacs Justin A. Lemkul
[gmx-users] Simulation of difloromethane Justin A. Lemkul
[gmx-users] versiongromacs Justin A. Lemkul
[gmx-users] version gromacs Justin A. Lemkul
[gmx-users] adding NH2 cap to C terminal Justin A. Lemkul
[gmx-users] files to modify to add NH2 cap at C terminal end Justin A. Lemkul
[gmx-users] questions in Running MDS over docked poses Justin A. Lemkul
[gmx-users] .mdp file Justin A. Lemkul
[gmx-users] Announcing a new membrane analysis tool: GridMAT-MD Justin A. Lemkul
[gmx-users] Thickness distribution over area of bilayer-membrane Justin A. Lemkul
[gmx-users] questions in Running MDS over docked poses Justin A. Lemkul
[gmx-users] Gromacs 4 Scaling Benchmarks... Justin A. Lemkul
[gmx-users] flood of gmx's mails in my mailbox Justin A. Lemkul
[gmx-users] Gromacs 4 Scaling Benchmarks... Justin A. Lemkul
[gmx-users] compilation of gmx-4.0.2 Justin A. Lemkul
[gmx-users] the temperature effect in the simulation Justin A. Lemkul
[gmx-users] the temperature effect in the simulation Justin A. Lemkul
[gmx-users] the temperature effect in the simulation Justin A. Lemkul
[gmx-users] system explodes Justin A. Lemkul
[gmx-users] the temperature effect in the simulation Justin A. Lemkul
[gmx-users] position and distance restrain Justin A. Lemkul
[gmx-users] Library file ffG43a1.n2t not found Justin A. Lemkul
[gmx-users] how to write .top file for a rigid molecule Justin A. Lemkul
[gmx-users] .top file Justin A. Lemkul
[gmx-users] position restrain Justin A. Lemkul
[gmx-users] problem installing FFTW Justin A. Lemkul
[gmx-users] trjconv write frames to separate files Justin A. Lemkul
[gmx-users] centre of the system: error Justin A. Lemkul
[gmx-users] charge distribution Justin A. Lemkul
[gmx-users] charge distribution Justin A. Lemkul
[gmx-users] Error while trying position restraint Justin A. Lemkul
[gmx-users] help with molecules not in the database Justin A. Lemkul
[gmx-users] Where to find the debugged versions of gromacs ? Justin A. Lemkul
[gmx-users] Problems with ion names in OPLS and gromacs 4.0.2 Justin A. Lemkul
[gmx-users] (no subject) Justin A. Lemkul
[gmx-users] Re: Gromacs-4.0.2: Compilation problem on IBM P690 Regatta System Justin A. Lemkul
[gmx-users] Problems with ion names in OPLS and gromacs 4.0.2 Justin A. Lemkul
[gmx-users] free software to save a trajektorie as a movie? Justin A. Lemkul
[gmx-users] .itp file for cyclohexane (gromos96 FF) Justin A. Lemkul
[gmx-users] Calculating the time for existence of h-bond Justin A. Lemkul
[gmx-users] Removing water molecules from inside of the protein Justin A. Lemkul
[gmx-users] OPLSAA parameters Justin A. Lemkul
[gmx-users] OPLSAA parameters Justin A. Lemkul
[gmx-users] Incuding position restraints Justin A. Lemkul
[gmx-users] Replacing molecules in .gro coordinate file Justin A. Lemkul
[gmx-users] problem in gromacs 4? Justin A. Lemkul
[gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s. Justin A. Lemkul
[gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s. Justin A. Lemkul
[gmx-users] Analyzing a trajectory split over multiple files Justin A. Lemkul
[gmx-users] coarse grain in gromacs Justin A. Lemkul
[gmx-users] trjcat problems Justin A. Lemkul
[gmx-users] DPPC simulations Justin A. Lemkul
[gmx-users] Loss of bonds in HEME iron after pdb2gmx Justin A. Lemkul
[gmx-users] DPPC simulations Justin A. Lemkul
[gmx-users] course grain model for DNA Justin A. Lemkul
[gmx-users] Re: Loss of bonds in HEME iron after pdb2gmx Justin A. Lemkul
[gmx-users] Re: Loss of bonds in HEME iron after pdb2gmx Justin A. Lemkul
[gmx-users] Problems with distance restraints Justin A. Lemkul
[gmx-users] Problems with distance restraints Justin A. Lemkul
[gmx-users] course grain model for DNA Justin A. Lemkul
[gmx-users] course grain model for DNA Justin A. Lemkul
[gmx-users] genbox -ci solute.gro -nmol N Justin A. Lemkul
[gmx-users] Concentration Justin A. Lemkul
[gmx-users] problems running grompp with protein-ligand complex Justin A. Lemkul
[gmx-users] no density option in g_energy Justin A. Lemkul
[gmx-users] Downloading DSSP onto iMAC Justin A. Lemkul
[gmx-users] x2top Justin A. Lemkul
[gmx-users] defination of cluster Justin A. Lemkul
[gmx-users] Fatal error with grompp(with detail process) Justin A. Lemkul
[gmx-users] Re: Re: defination of cluster Justin A. Lemkul
[gmx-users] Re:Re: x2top Justin A. Lemkul
[gmx-users] gromacs 4.0 -np parameter? Justin A. Lemkul
[gmx-users] gromacs 4.0 -np parameter? Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 55, Issue 150 Justin A. Lemkul
[gmx-users] how much ns Marc F. Lensink
[gmx-users] how much ns-one more question Marc F. Lensink
[gmx-users] doubt about the ffencadv.rtp Serena Leone
[gmx-users] weird behavior of genion in gromacs4 Serena Leone
[gmx-users] questions about g_hbond Dechang Li
[gmx-users] Alchemistry free energy simulations of molecules with different atom numbers Zhao Lifeng
[gmx-users] Re: Re: Alchemistry free energy simulations of molecules with different atom numbers Zhao Lifeng
[gmx-users] tip3p.itp => OWT3, HW vs. ffG53a6nb.itp => OW, H Chih-Ying Lin
[gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96) Chih-Ying Lin
[gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96) Chih-Ying Lin
[gmx-users] Water model => amber port to gromacs Chih-Ying Lin
[gmx-users] Water model => amber port to gromacs Chih-Ying Lin
[gmx-users] Water model => amber port to gromacs ? => OR Only SPC ? Chih-Ying Lin
[gmx-users] Water model => amber port to gromacs ? => OR Chih-Ying Lin
[gmx-users] genbox -ci solute.gro -nmol N Chih-Ying Lin
[gmx-users] Concentration Chih-Ying Lin
[gmx-users] Gromacs-4.0.2 is out Erik Lindahl
[gmx-users] Alchemistry free energy simulations of molecules with different atom numbers Diana Lousa
[gmx-users] Mean squared displacement for fast moving particles ROHIT MALSHE
[gmx-users] Library file ffG43a1.n2t not found ROHIT MALSHE
[gmx-users] duplicate a molecule Gabriel Marchand
[gmx-users] temperature coupling strength Omer Markovitch
[gmx-users] small protein & big frozen group - exploding Omer Markovitch
[gmx-users] Analyzing a trajectory split over multiple files Omer Markovitch
[gmx-users] Replacing molecules in .gro coordinate file Omer Markovitch
[gmx-users] free software to save a trajektorie as a movie? Pete Meyer
[gmx-users] GROMOS [BMIM][PF6] and [BMIM][NO3] Ionic liquid force field Nuno Micaelo
[gmx-users] segmentation fault during test set Antoine Migeon
[gmx-users] Gromacs Installation troubles Antoine Migeon
[gmx-users] First Circular: FOMMS 2009 Moore, Jonathan (J)
[gmx-users] .mdp file Andrea Muntean
[gmx-users] .mdp file Andrea Muntean
[gmx-users] system explodes Andrea Muntean
[gmx-users] system explodes Andrea Muntean
[gmx-users] Spatial distribution Gadzikano Munyuki
[gmx-users] Spatial distribution Gadzikano Munyuki
[gmx-users] Re: gmx-users Digest, Vol 55, Issue 51 Gadzikano Munyuki
[gmx-users] Re: Spatial distibution Gadzikano Munyuki
[gmx-users] RE: Normal mode analysis Maria Musgaard
[gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used? Musselman, Eli D
[gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used? (This re-post is easier to read) Musselman, Eli D
[gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used? Musselman, Eli D
[gmx-users] TYR residue in OPLS-AA Chris Neale
[gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define Chris Neale
[gmx-users] test particle insertion Andrei Neamtu
[gmx-users] Replacing molecules in .gro coordinate file Waipot Ngamsaad
[gmx-users] Analyzing a trajectory split over multiple files Nicolas
[gmx-users] Analyzing a trajectory split over multiple files Nicolas
[gmx-users] about PMF calculation Xavier Periole
[gmx-users] question about default parameter for g_hbond Xavier Periole
[gmx-users] editconf/genbox problem in Gromacs 4.0 Xavier Periole
[gmx-users] Parameters Xavier Periole
[gmx-users] Deuterium order parameter over area of membrane Xavier Periole
[gmx-users] FFTW problem for Gromacs4 Xavier Periole
[gmx-users] compilation of gmx-4.0.2 Xavier Periole
[gmx-users] compilation of gmx-4.0.2 Xavier Periole
[gmx-users] compilation of gmx-4.0.2 Xavier Periole
[gmx-users] Warning in compiling GMX4.0.2 Xavier Periole
[gmx-users] Warning in compiling GMX4.0.2 Xavier Periole
[gmx-users] density of the bilayer Xavier Periole
[gmx-users] density of the bilayer Xavier Periole
[gmx-users] coarse grain in gromacs Xavier Periole
[gmx-users] coarse grain in gromacs Xavier Periole
[gmx-users] Extracting the water molecules in hydration layer Xavier Periole
[gmx-users] Analyzing a trajectory split over multiple files TJ Piggot
[gmx-users] Re: density vs time? Ángel Piñeiro
[gmx-users] problem with distance restraints Ángel Piñeiro
[gmx-users] problem with distance restraints Ángel Piñeiro
[gmx-users] Re: About entropic contribution to the potential of mean force Ángel Piñeiro
[gmx-users] Interactions between tow chains of a protein Polavarapu, Abhigna
[gmx-users] Simulation of difloromethane Polavarapu, Abhigna
[gmx-users] Normal mode analysis Polavarapu, Abhigna
[gmx-users] RE: Normal mode analysis Polavarapu, Abhigna
[gmx-users] course grain model for DNA Mrinalini Puranik
[gmx-users] Martini ff. DAVID RINCON
[gmx-users] Bugs in gromacs 4 Jelger Risselada
[gmx-users] Bugs in gromacs 4 Jelger Risselada
[gmx-users] appropriate time constant and forces for distance restraints Arthur Roberts
[gmx-users] how to write .top file for a rigid molecule Arthur Roberts
[gmx-users] Constraints - PMF - Different Molecules Arthur Roberts
[gmx-users] Force Fields for Solids Christopher Rowan
[gmx-users] operating system Marudachalam S
[gmx-users] operating system Marudachalam S
[gmx-users] operating system Marudachalam S
[gmx-users] RE: Normal mode analysis Marudachalam S
[gmx-users] the temperature effect in the simulation Nicolas Sapay
[gmx-users] problem with g_dist (probably solved) Thomas Schlesier
[gmx-users] question about default parameter for g_hbond Thomas Schlesier
[gmx-users] Re: gmx-users Digest, Vol 55, Issue 11 Thomas Schlesier
[gmx-users] question about default parameter for g_hbond Thomas Schlesier
[gmx-users] problem with pulling (afm_rate is not equal to real pull-velocity) Thomas Schlesier
[gmx-users] free software to save a trajektorie as a movie? Thomas Schlesier
[gmx-users] Re: free software to save a trajektorie as a movie? Thomas Schlesier
[gmx-users] gromacs-4: statring in parallel on solaris 8 Roland Schulz
[gmx-users] GROMACS on Bluegene Roland Schulz
[gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define Daniel Seeliger
[gmx-users] Gromacs 4 Scaling Benchmarks... Christian Seifert
[gmx-users] Wrong calculation of runtime Christian Seifert
[gmx-users] Wrong calculation of runtime Christian Seifert
[gmx-users] pair forces Inon Sharony
[gmx-users] Coarse-Graining & Simulation Workshop using the MARTINI model Atte Sillanpää
[gmx-users] Inconsistent shifts Ramesh Singh
[gmx-users] Re: Charges in SW water model David van der Spoel
[gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define David van der Spoel
[gmx-users] g_order post - 3.3.1 (yes, again). David van der Spoel
[gmx-users] missing of methyl at N-terminal Mitchell Stanton-Cook
[gmx-users] SMP/Parallel mdrun Ian Stokes-Rees
[gmx-users] SMP/Parallel mdrun Ian Stokes-Rees
[gmx-users] Repeating the simulation #NGUYEN CONG TRI#
[gmx-users] xdrf Fortran program and g_traj Shaghayegh Vafaei
[gmx-users] xdrf Fortran program and g_traj Shaghayegh Vafaei
[gmx-users] grompp NOTE mdp file concerning steps Claus Valka
[gmx-users] Re: grompp NOTE mdp file concerning steps Claus Valka
[gmx-users] error: triclinic skew factor - number of DD cells Claus Valka
[gmx-users] error: triclinic skew factor - number of DD cells Claus Valka
[gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error Claus Valka
[gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error Claus Valka
[gmx-users] gromacs 4.0.2 error in continuation to triclinic skew error Claus Valka
[gmx-users] parallelization error? gromacs-4.0.2 Claus Valka
[gmx-users] Re: grompp NOTE mdp file concerning steps Claus Valka
[gmx-users] seek for forcefield parameters Jinyao Wang
[gmx-users] how to compute the shear viscosity Jinyao Wang
[gmx-users] how to carry out the NEMD with gromacs to compute the shear viscosity Jinyao Wang
[gmx-users] how to write .top file for a rigid molecule Jinyao Wang
[gmx-users] problem with g_dist (probably solved) Tsjerk Wassenaar
[gmx-users] grompp error Tsjerk Wassenaar
[gmx-users] grompp error Tsjerk Wassenaar
[gmx-users] Repeating the simulation Tsjerk Wassenaar
[gmx-users] g_rms Tsjerk Wassenaar
[gmx-users] position restraint and pdb Tsjerk Wassenaar
[gmx-users] Gromacs-4.0.2 is out Tsjerk Wassenaar
[gmx-users] bad box in protein.gro Tsjerk Wassenaar
[gmx-users] g_rms Tsjerk Wassenaar
[gmx-users] flood of gmx's mails in my mailbox Tsjerk Wassenaar
[gmx-users] Re: grompp NOTE mdp file concerning steps Tsjerk Wassenaar
[gmx-users] mdrun in parallel Tsjerk Wassenaar
[gmx-users] Re: grompp NOTE mdp file concerning steps Tsjerk Wassenaar
[gmx-users] trjcat error Tsjerk Wassenaar
[gmx-users] Re: how to show dodecahedron box in VMD Tsjerk Wassenaar
[gmx-users] problems running grompp with protein-ligand complex Tsjerk Wassenaar
[gmx-users] x2top Tsjerk Wassenaar
[gmx-users] Fatal error with grompp(with detail process) Tsjerk Wassenaar
[gmx-users] print out the velocities and forces using template.c Tsjerk Wassenaar
[gmx-users] Re:Re: x2top Tsjerk Wassenaar
[gmx-users] problem Volker Wirth
[gmx-users] surface simulation Hongyan Xiao
[gmx-users] CCl4 parameters problem Hongyan Xiao
[gmx-users] CCl4 parameters Hongyan Xiao
[gmx-users] surface simulation Hongyan Xiao
[gmx-users] charge distribution Hongyan Xiao
[gmx-users] charge distribution Hongyan Xiao
[gmx-users] Re: High frequency output slow down the simulation? Yang Ye
[gmx-users] Re: High frequency output slow down the simulation? Yang Ye
[gmx-users] the Temperature in the mdp.file Yang Ye
[gmx-users] mdrun in parallel Yang Ye
[gmx-users] Re: Yang Ye
[gmx-users] Re: Disulfide bond in Martini Coarse Grain Myunggi Yi
[gmx-users] coarse grain in gromacs BIN ZHANG
[gmx-users] coarse grain in gromacs BIN ZHANG
[gmx-users] Problems of test particle insertion with gromacs 4.0 Zhang Zhigang
[gmx-users] About the gromacs 4.0 manual and parallel running Zhang Zhigang
[gmx-users] About entropic contribution to the potential of mean force Zhang Zhigang
[gmx-users] Re: About entropic contribution to the potential of mean force Zhang Zhigang
[gmx-users] Is gromacs-4.0.2 finally released? Jian Zou
[gmx-users] freeze group gives Segmentation fault ilona.baldus at bioquant.uni-heidelberg.de
[gmx-users] freeze group gives Segmentation fault ilona.baldus at bioquant.uni-heidelberg.de
[gmx-users] problem with lamboot sarbani chattopadhyay
[gmx-users] Fwd: still problem with lamboot sarbani chattopadhyay
[gmx-users] can't find "distclean" sarbani chattopadhyay
[gmx-users] can't find "distclean" sarbani chattopadhyay
[gmx-users] can't find "distclean" sarbani chattopadhyay
[gmx-users] way to cap C-terminal as CONH2 sarbani chattopadhyay
[gmx-users] adding NH2 cap to C terminal sarbani chattopadhyay
[gmx-users] adding NH2 cap to C terminal sarbani chattopadhyay
[gmx-users] files to modify to add NH2 cap at C terminal end sarbani chattopadhyay
[gmx-users] problem installing FFTW sarbani chattopadhyay
[gmx-users] problem with FFTW installation sarbani chattopadhyay
[gmx-users] problem with FFTW installation sarbani chattopadhyay
[gmx-users] can't find fftw3f library sarbani chattopadhyay
[gmx-users] can't find fftw3f library sarbani chattopadhyay
[gmx-users] lamboot command problem sarbani chattopadhyay
[gmx-users] lamboot command problem sarbani chattopadhyay
[gmx-users] Replica exchange temp. distribution sarbani chattopadhyay
[gmx-users] Replica exchange temp. distribution sarbani chattopadhyay
[gmx-users] how many pairs are exchanged in replica exchange sarbani chattopadhyay
[gmx-users] gromacs parallel problem mario ciappy
[gmx-users] periodic boundary conditions in g_rdf ilhan favela
[gmx-users] OPLSAA parameters friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] print out the velocities and forces using template.c friendli
[gmx-users] print out the velocities and forces using template.c friendli
[gmx-users] print out the velocities and forces using template.c friendli
[gmx-users] OPLSAA parameters friendli
[gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s. gportel at gwdg.de
[gmx-users] (no subject) gportel at gwdg.de
[gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s. gportel at gwdg.de
[gmx-users] crash in gromacs-4.0.2 using vsites and 2fs t.s. gportel at gwdg.de
[gmx-users] Parameters andrea hanna
[gmx-users] Where to find the debugged versions of gromacs ? rashmi_chem at iitb.ac.in
[gmx-users] versiongromacs shahrbanoo karbalaee
[gmx-users] version gromacs shahrbanoo karbalaee
[gmx-users] position restrain shahrbanoo karbalaee
[gmx-users] trjconv write frames to separate files tatsiana kirys
[gmx-users] g_potential minnale
[gmx-users] density of the bilayer minnale
[gmx-users] density of the bilayer minnale
[gmx-users] Re:density of the bilayer minnale
[gmx-users] centre of the system: error minnale
[gmx-users] grompp error supti mukherjee
[gmx-users] ionic liquid naimah haron naimah
[gmx-users] email naimah haron naimah
[gmx-users] help- ionic liquid naimah haron naimah
[gmx-users] ready topology for ionic liquid? naimah haron naimah
[gmx-users] topology naimah haron naimah
[gmx-users] Loss of bonds in HEME iron after pdb2gmx saradas at ncbs.res.in
[gmx-users] location of specbond.dat saradas at ncbs.res.in
[gmx-users] location of specbond.dat-solved saradas at ncbs.res.in
[gmx-users] Loss of bonds in HEME iron after pdb2gmx saradas at ncbs.res.in
[gmx-users] Re: Loss of bonds in HEME iron after pdb2gmx saradas at ncbs.res.in
[gmx-users] Re: Re: Loss of bonds in HEME iron after pdb2gmx saradas at ncbs.res.in
[gmx-users] Re: free software to save a trajektorie as a movie? parksh at northwestern.edu
[gmx-users] problem with distance restraints map110+ at pitt.edu
[gmx-users] problem with distance restraints map110+ at pitt.edu
[gmx-users] free software to save a trajektorie as a movie? mldaniel at pnhs.purdue.edu
[gmx-users] Electron density over area anirban polley
[gmx-users] Deuterium order parameter over area of membrane anirban polley
[gmx-users] Thickness distribution over area of bilayer-membrane anirban polley
[gmx-users] Re: writing checkpoint xianghong qi
[gmx-users] Re: writing checkpoint xianghong qi
[gmx-users] Re: writing checkpoint xianghong qi
[gmx-users] Re: density vs time? xianghong qi
[gmx-users] Re: density vs time? xianghong qi
[gmx-users] Re: density vs time? xianghong qi
[gmx-users] Re: density vs time? xianghong qi
[gmx-users] Re: .xtc file is incomplete xianghong qi
[gmx-users] Re: .xtc file is incomplete xianghong qi
[gmx-users] Re: .xtc file is incomplete xianghong qi
[gmx-users] Re: High frequency output slow down the simulation? xianghong qi
[gmx-users] Re: High frequency output slow down the simulation? xianghong qi
[gmx-users] Re: High frequency output slow down the simulation? xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to turn off the interamolecular interaction xianghong qi
[gmx-users] Re: how to show dodecahedron box in VMD xianghong qi
[gmx-users] Re: how to show dodecahedron box in VMD xianghong qi
[gmx-users] large charge group qiaobf
[gmx-users] help with molecules not in the database rahmanm at queensu.ca
[gmx-users] doublechecking itp files rahmanm at queensu.ca
[gmx-users] mdrun in parallel Alessandro.Maiorana at roma2.infn.it
[gmx-users] How to monitor hydrophobic interactions? Ragnarok sdf
[gmx-users] ligand protein complex with ffamber99 Ragnarok sdf
[gmx-users] problems running grompp with protein-ligand complex Ragnarok sdf
[gmx-users] Re: gmx-users Digest, Vol 55, Issue 130 servaas
[gmx-users] how much ns vivek sharma
[gmx-users] Running MDS over docked poses vivek sharma
[gmx-users] Running MDS over docked poses vivek sharma
[gmx-users] questions in Running MDS over docked poses vivek sharma
[gmx-users] replicating a view in pymol for multiple files vivek sharma
[gmx-users] questions in Running MDS over docked poses vivek sharma
[gmx-users] Gromacs 4 Scaling Benchmarks... vivek sharma
[gmx-users] Gromacs 4 Scaling Benchmarks... vivek sharma
[gmx-users] Gromacs 4 Scaling Benchmarks... vivek sharma
[gmx-users] Gromacs 4 Scaling Benchmarks... vivek sharma
[gmx-users] Error while trying position restraint vivek sharma
[gmx-users] Calculating the time for existence of h-bond vivek sharma
[gmx-users] Calculating the time for existence of h-bond vivek sharma
[gmx-users] Using double precision files with single precision version vivek sharma
[gmx-users] PPA shenle at sjtu.edu.cn
[gmx-users] problem with openmpi and gromacs4.0 hui sun
[gmx-users] radial density graph and moment of inertia moura at ufscar.br
[gmx-users] radial density graph and moment of inertia moura at ufscar.br
[gmx-users] Complete list of all interaction energies jgoetze at uni-potsdam.de
[gmx-users] Complete list of all interaction energies jgoetze at uni-potsdam.de
[gmx-users] RE: vsite problem in gromacs 4.0 chris.neale at utoronto.ca
[gmx-users] RE: vsite problem in gromacs 4.0 chris.neale at utoronto.ca
[gmx-users] Accessing the distance_restraints energy term chris.neale at utoronto.ca
[gmx-users] trjconv -f .cpt -s .tpr -o .gro chris.neale at utoronto.ca
[gmx-users] Accessing the distance_restraints energy term chris.neale at utoronto.ca
[gmx-users] Spatial distribution chris.neale at utoronto.ca
[gmx-users] Re: .xtc file is incomplete chris.neale at utoronto.ca
[gmx-users] Spatial distribution chris.neale at utoronto.ca
[gmx-users] Re: High frequency output slow down the simulation? chris.neale at utoronto.ca
[gmx-users] correct processing of #define statements by grompp in gromacs 4.0.2 requires exactly one space after #define chris.neale at utoronto.ca
[gmx-users] Problems with distance restraints chris.neale at utoronto.ca
[gmx-users] Calculating the time for existence of h-bond minnu vijayan
[gmx-users] RE: Normal mode analysis minnu vijayan
[gmx-users] Box vector shifts number in x and y/z dimension xuji
[gmx-users] How to calculate virial in gromacs-4.0? xuji
[gmx-users] vsite problem in gromacs 4.0 zazeri
[gmx-users] vsite problem in gromacs 4.0 zazeri
[gmx-users] GMX_MAXCONSTWARN variable zazeri

Last message date: Sun Nov 30 16:04:06 CET 2008
Archived on: Thu Nov 14 12:05:32 CET 2013

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