[gmx-users] NEW SOLVENT - DMF box equilibration

jiri vondrasek jirka at uochb.cas.cz
Fri Jul 11 09:53:01 CEST 2003

I have created a box of DMF (N,N-dimethylformamide)after a long "try and
error" period. Now I am a little bit uncertain if I set up everything
well. Would anybody tell me how to specify density or what kind of
parameters can help me in setting up a density close to the experimental
value? Does anybody have a mdp file for equilibration of solvent box?
Getting such file with explanation will be greatly appreciated. thanks

jiri vondrasek <jirka at uochb.cas.cz>

More information about the gromacs.org_gmx-users mailing list