[gmx-users] NEW SOLVENT - DMF box equilibration

jiri vondrasek jirka at uochb.cas.cz
Fri Jul 11 10:50:01 CEST 2003

I have already checked some of them out. It helps me.

On Fri, 2003-07-11 at 04:05, David van der Spoel wrote:
> On Fri, 2003-07-11 at 15:52, jiri vondrasek wrote:
> > Hello
> > 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
> Check
> http://www.gromacs.org/topologies/molecules.php
> and see what others have done.
jiri vondrasek <jirka at uochb.cas.cz>

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