January 2004 Archives by thread
Starting: Thu Jan 1 11:10:01 CET 2004
Ending: Sat Jan 31 18:49:01 CET 2004
Messages: 566
- [gmx-users] Pressure coupling type for Biomembrane simulation
David van der Spoel
- [gmx-users] gromacs3.0.5 static compiling on intel processor
F.Hao at chem.rug.nl
- [gmx-users] Moment of inertial
Ronak Patel
- [gmx-users] error while loading shared libraries: libg2c.so.0
F.Hao at chem.rug.nl
- [gmx-users] atom name not match
Yu Sun
- [gmx-users] got seg fault
gmx at 4ka.mipt.ru
- [gmx-users] movie making
Itamar Kass
- [gmx-users] G96Angle contribution
Sunita Patel
- [gmx-users] Which coulmbtype?
Anton Feenstra
- [gmx-users] simulation problem whit lincs
Anton Feenstra
- [gmx-users] Too close water molecules
saurabh shakya
- [gmx-users] A question on Fatal error: ci = -2147483648....
Hwankyu Lee
- [gmx-users] A question on files "step*.pdb".
Hwankyu Lee
- [gmx-users] Re: Too close water molecules
saurabh shakya
- [gmx-users] Too close water molecules
saurabh shakya
- [gmx-users] Enthalpy of vaporization
Pedro Alexandre Lapido Loureiro
- [gmx-users] Unit of the spectral density
istvan at kolossvary.hu
- [gmx-users] ngmx
Osmany Guirola Cruz
- [gmx-users] enthalpy of vaporization II
Pedro Alexandre Lapido Loureiro
- [gmx-users] how to ask questions on the website?
黄正兴
- [gmx-users] Re: NVE problems
Anton Feenstra
- [gmx-users] It's spinning!
Anton Feenstra
- [gmx-users] PAUSE/CONTINUE A JOB
Anton Feenstra
- [gmx-users] very strange directory dependent segmentation faults please HELP!
Anton Feenstra
- [gmx-users] Windows XP and GROMACS
Anton Feenstra
- [gmx-users] Potential energy calculation of protein by using g_energy
Anton Feenstra
- [gmx-users] how to ask questions on the website?
David
- [gmx-users] Re: Too close water molecules
saurabh shakya
- [gmx-users] opls-ua, MM3
Konrad Piwowarczyk
- [gmx-users] Re: Too close water molecules
saurabh shakya
- [gmx-users] Re: Too close water molecules
saurabh shakya
- [gmx-users] opteron, 64bit
Rainer Boeckmann
- [gmx-users] Re: Too close water molecules
saurabh shakya
- [gmx-users] Re: NVE problems in gmx-users digest, Vol 1 #1174
istvan at kolossvary.hu
- [gmx-users] What is the meaning of this warning?
Hua Wong
- [gmx-users] afm pull
Robert Vacha
- [gmx-users] help me about GROMACS
Huang Zhengxing
- [gmx-users] bug in gromacs-3.2.0beta1 grompp
Malcolm Gillies
- [gmx-users] position restraints and minimizers
Malcolm Gillies
- [gmx-users] [Fwd: help me about GROMACS on Windows]
David van der Spoel
- [gmx-users] relative values in covariance analysis
Ing. Vojtěch Spiwok
- [gmx-users] tip5p.gro file
Marivi Fernandez-Serra
- [gmx-users] Re: gmx-users digest, Vol 1 #1189 - NVE problems in gmx-users digest, Vol 1 #1174 (David)
istvan at kolossvary.hu
- [gmx-users] help me about GROMACS
Anton Feenstra
- [gmx-users] ngmx
Osmany Guirola Cruz
- [gmx-users] Is there an easy way to disable the choice prompt in g_rmsf?
Hua Wong
- [gmx-users] Is there an easy way to disable the choice prompt in g_rmsf?
Mu Yuguang (Dr)
- [gmx-users] Is there an easy way to disable the choice prompt in g_rmsf?
Berk Hess
- [gmx-users] Re: gmx-users digest, Vol 1 #1190 - NVE problems (Anton)
istvan at kolossvary.hu
- [gmx-users] making index file
Zhu, Qing
- [gmx-users] installation probem on Tru64 supercomputer
Wei Fu
- [gmx-users] Re: cut offs
Michael Shirts
- [gmx-users] Re: gmx-users digest, Vol 1 #1190 - NVE problem
istvan at kolossvary.hu
- [gmx-users] Re:installation probem on Tru64 supercomputer
Wei Fu
- [gmx-users] "Correcting invalid box"
Malcolm Gillies
- [gmx-users] Dispersion correction and cutoffs
Michael Shirts
- [gmx-users] "Correcting invalid box"
Berk Hess
- [gmx-users] installation probem on Tru64 supercomputer
Mu Yuguang (Dr)
- [gmx-users] Request for FAQ
christoph.nimptsch at uni-tuebingen.de
- [gmx-users] "Correcting invalid box"
Berk Hess
- [gmx-users] Too close water molecules.
saurabh shakya
- [gmx-users] movie making
Marc Lensink
- [gmx-users] energia of interaction
Mauricio Arenas Salinas
- [gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2)
Hwankyu Lee
- [gmx-users] 3.2.0_beta pull code: bug or feature?
Frauke Meyer
- [gmx-users] Writing new tools?
Arvid Soederhaell
- [gmx-users] HELP .....changing charges in the forcefield
saurabh shakya
- [gmx-users] HELP .....changing charges in the forcefield
saurabh shakya
- [gmx-users] what's "inconsistent shifts"?
Xu ZhiPing
- [gmx-users] order of atoms in pdb-file
Mr.Sridhar
- [gmx-users] what's "inconsistent shifts"?
David
- [gmx-users] what's "inconsistent shifts"?
Xu ZhiPing
- [gmx-users] what's "inconsistent shifts"?
David
- [gmx-users] what's "inconsistent shifts"?
Xu ZhiPing
- [gmx-users] what's "inconsistent shifts"?
David
- [gmx-users] problems with CVS
m b
- [gmx-users] about stochastic dynamics
Wei Fu
- [gmx-users] questions
amay
- [gmx-users] questions
David van der Spoel
- [gmx-users] g_covar 3.2.0
Ing. Vojtěch Spiwok
- [gmx-users] mixing NOE data and MD for non-protein compoud
Santi Esteban Martin
- [gmx-users] g_covar 3.2.0
Berk Hess
- [gmx-users] Multiple Simulations
Anton Feenstra
- [gmx-users] mdrun on Beowulf cluster
Yu Sun (Denis)
- [gmx-users] new molecule rtp and itp files?
Milton Taidi Sonoda
- [gmx-users] Free energy perturbation enzyme + 5 a.a. Peptide
Tivadar Orban
- [gmx-users] covalent bond between ligand and protein
muthu12 at cox.net
- [gmx-users] new molecule rtp and itp files?
muthu12 at cox.net
- [gmx-users] pH
Kia.Balali-Mood at ed.ac.uk
- [gmx-users] Fwd: dmso
Erik Lindahl
- [gmx-users] Multiple Simulations
Mu Yuguang (Dr)
- [gmx-users] gromacs 3.0 and 3.1
Magdalena Siwko
- [gmx-users] anyway to combine tpr?
Raj Badhan
- [gmx-users] covalent bond between ligand and protein
muthu12 at cox.net
- [gmx-users] restarting simulations
Milton Taidi Sonoda
- [gmx-users] adding NaCl to water box
Madhuri Agashe
- [gmx-users] neighbor list
Maria Nemirovskaya
- [gmx-users] Pls unsubscribe me
g209 pillai
- [gmx-users] 'Gromacs Symposium' ?
Anton Feenstra
- [gmx-users] 'Gromacs Symposium' ?
Senthil Kandasamy
- [gmx-users] Re: dmso
F.Hao at chem.rug.nl
- [gmx-users] 'Gromacs Symposium' ?
TAPO (Thomas Agersten Poulsen)
- [gmx-users] strange movement
Fan Gao
- [gmx-users] Cesium vdw parameters
hernan ahumada
- [gmx-users] Compare NMA on CHARMM and GROMACS
方 久豪
- [gmx-users] Re: Cesium vdw parameters
Ing. Vojtěch Spiwok
- [gmx-users] neighbor list
m b
- [gmx-users] neighbor list
Berk Hess
- [gmx-users] Re: GROMACS workshop
Kia.Balali-Mood at ed.ac.uk
- [gmx-users] neighbor list
m b
- [gmx-users] neighbor list
Berk Hess
- [gmx-users] gmxdump output
Milton Taidi Sonoda
- [gmx-users] errors when running gromacs in parallel
gianluca santarossa
- [gmx-users] using .pdb file from protein data bank
Madhuri Agashe
- [gmx-users] PMF via constraint forces and frozen/restrained atoms incompatible ?
m b
- [gmx-users] NOE restriction for MD using protons with the same chemical shift.
Santi Esteban Martin
- [gmx-users] simulated annealing!
David van der Spoel
- [gmx-users] A question on Fatal error: ci = -2147483648...
Peter Zoon
- [gmx-users] 'Gromacs Symposium' ?
McMullen, Roger L
- [gmx-users] did the pull code ever work ?
m b
- [gmx-users] programming gromacs
m b
- [gmx-users] request
karthik
- [gmx-users] No default Proper [Bond, Angle, Dihedral]
Arturas
- [gmx-users] Phi/Psi
Raj Badhan
- [gmx-users] request
karthik
- [gmx-users] G_ANGLE/MK_ANGNDX
Raj Badhan
- [gmx-users] How to obtain bond energy of the part of the system ?
=?koi8-r?Q?=22?=Alex=?koi8-r?Q?=22=20?=
- [gmx-users] Simulated Annealing
Martina Bertsch, PhD
- [gmx-users] methanol box
Rainer Boeckmann
- [gmx-users] Re: Itanium 2
Anton Feenstra
- [gmx-users] water in channel
Itamar Kass
- [gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron)
Erik Lindahl
- [gmx-users] ACE failure
Henrik Rundgren
- [gmx-users] Re: phi/psi (For Raj)
Kia.Balali-Mood at ed.ac.uk
- [gmx-users] 1-4 non-bonded
Nagy, Peter I.
- [gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron)
Michel Cuendet
- [gmx-users] dimension
Nagy, Peter I.
- [gmx-users] size limit in gromacs?
Milan Melichercik
- [gmx-users] Re: latest benchmarks (Itanium/Xeon/Opteron)
Michel Cuendet
- [gmx-users] simulated annealing!
Anton Feenstra
- [gmx-users] SIGSEGV
SANTINI sebastien
- [gmx-users] Problem with topology and gmxdump....
sgaray at fbcb.unl.edu.ar
- [gmx-users] water in channel
Jocelyne Vreede
- [gmx-users] g_sas
Madhuri Agashe
- [gmx-users] trr file not found..
Madhuri Agashe
- [gmx-users] Re: Reasonable for drug molecule using united atom topology?
Ing. Vojtěch Spiwok
- [gmx-users] Slow Heating and Cooling
Martina Bertsch, PhD
- [gmx-users] FW: Welcome to the "gmx-users" mailing list (Digest mode)
Lixian Zhang
- [gmx-users] hydrogen bonding within a peptide
Kia.Balali-Mood at ed.ac.uk
- [gmx-users] ewald,pme + bham potentials
gmx at 4ka.mipt.ru
- [gmx-users] ewald,pme + bham potentials
gmx at 4ka.mipt.ru
- [gmx-users] SD random force
Maria Nemirovskaya
- [gmx-users] Do I need to add hydrogens?
Vivek Raut
- [gmx-users] SD random force
Berk Hess
- [gmx-users] Thanks David
Kia.Balali-Mood at ed.ac.uk
- [gmx-users] Re2: problem wiht topology and gmxdump...
sgaray at fbcb.unl.edu.ar
- [gmx-users] who I can measure the interaction energy ?
Mauricio Arenas Salinas
- [gmx-users] Re: SD random force
Maria Nemirovskaya
- [gmx-users] virial due to constraints
Maria Nemirovskaya
- [gmx-users] Exploding/Expanding Box on Different Versions
Dallas Warren
- [gmx-users] errors depending on (lack of) solvent
gianluca santarossa
- [gmx-users] Re: SD random force
Berk Hess
- [gmx-users] editconf
SANTINI sebastien
- [gmx-users] Gromacs under Windows
Cornel, J.
- [gmx-users] cutt offs
Eric Jakobsson
- [gmx-users] restraining to center of geometry?
Michael Shirts
- [gmx-users] docu for pull-code in gmx-3.2 ?
Michael Brunsteiner
- [gmx-users] problem with pulling
alexander yakovenko
- [gmx-users] distance between oxygens of hydroxils in the OPLS
Milton Taidi Sonoda
- [gmx-users] Gromacs under Windows
Cornel, J.
- [gmx-users] exclusions and dummies
Dr. Christoph Freudenberger
- [gmx-users] absent pairs
Milton Taidi Sonoda
- [gmx-users] terminal proline and OPLSAA charges
Huafeng Xu
- [gmx-users] Hi,allMPI_Finalize
Wei Fu
- [gmx-users] multi cpu problem
Wei Fu
- [gmx-users] multi cpu problem, again
Wei Fu
- [gmx-users] Buckingham potential
Stefano Piana
- [gmx-users] problem with pulling
Alexander
- [gmx-users] Multiple mdp simulations; tinit
Martina Bertsch, PhD
- [gmx-users] Non-planar phenyl rings and non-linear triple bonds
Bamidele Adisa
- [gmx-users] Gromacs 3.2 released
Erik Lindahl
- [gmx-users] box size criterion in high temperature and constant pressure
Mojtaba Alaei
- [gmx-users] hyperthreading
aneamtu at iasi.mednet.ro
- [gmx-users] Re: multi cpu problem (Anton Feenstra)
Wei Fu
- [gmx-users] trjconv -center -pbc whole ?!?
Dallas Warren
- [gmx-users] Re: multi cpu problem
Wei Fu
- [gmx-users] about GMX 3.2
Alan Wilter Sousa da Silva
- [gmx-users] LINCS WARNING again...
Luciane Vieira de Mello Rigden
- [gmx-users] mdrun_hole problems
Arvid Soderhall
- [gmx-users] pdb-files - atom number of individual molecules
B. Nick
- [gmx-users] proper dihedrals
Milton Taidi Sonoda
- [gmx-users] bfactors from rmsf
Shrivastava, Indira (NIH/NCI)
- [gmx-users] fftw 3.0
Alan Wilter Sousa da Silva
- [gmx-users] FF.dat missing in gromacs-3.2.tar.gz ?
Kalaszi Adrian
- [gmx-users] cis-trans isomerization
Martina Bertsch, PhD
- [gmx-users] FF.dat missing in gromacs-3.2.tar.gz ?
Mu Yuguang (Dr)
- [gmx-users] LINCS WARNING - please!
Luciane Vieira de Mello Rigden
- [gmx-users] index file for g_order
Milan Melichercik
- [gmx-users] segmentation fault : g_sas
Madhuri Agashe
- [gmx-users] cpp warnings
Alan Wilter Sousa da Silva
- [gmx-users] Including pH in Your run...
Kamil Tamiola
Last message date:
Sat Jan 31 18:49:01 CET 2004
Archived on: Thu Nov 14 12:00:36 CET 2013
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