[gmx-users] Making easy position restrain
Hector Mrz-Seara Monne
hseara at netscape.net
Mon Nov 8 13:30:45 CET 2004
thanks for your quick replay I'm going to try both possibilities
x.periole at chem.rug.nl wrote:
> Hector Mrz-Seara Monne wrote:
>> thanks I'll try to reduce then the time steep to 2fs and see what's
>> going on. You know otherwise if there's the possibility of playing
>> with the initial velocities generator number to try to start from
>> another configuration that doesn't follow the same auto destroy
>> dynamics path.
> There is a keywork "seed" that you can give in the md.mdp. That is the
> seed number used to generate
> the initial set of velocities.
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