[gmx-users] Making easy position restrain

[Hector Mrz-Seara Monne]

thanks for your quick replay I'm going to try both possibilities
Hector

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
>

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