[gmx-users] Simulations in triplicates.

B P 4gromacs at gmail.com
Wed Jan 21 07:02:21 CET 2015


Thanks MS, David and Mark..

On Tue, Jan 20, 2015 at 3:44 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Yes. What did you want to be different about your starting conditions?
> Hint: there's an .mdp option for generating velocities from a random
> number.
>
> Mark
>
> On Tue, Jan 20, 2015 at 11:09 AM, B P <4gromacs at gmail.com> wrote:
>
> > Dear all,
> > when repeating simulations (triplicates) do you need to change anything
> in
> > mdp file for each of the simulation?
> >
> > Regards,
> > BP.
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