[gmx-users] Making easy position restrain

[Xavier Periole]

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

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   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole
   
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