[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.
> XAvier

Your favorite stores, helpful shopping tools and great gift ideas. 
Experience the convenience of buying online with Shop at Netscape! 

More information about the gromacs.org_gmx-users mailing list