Yes, of course, Langevin - that's why I am asking.
03.06.09, 14:13, "Carlos Simmerling" <carlos.simmerling.gmail.com>:
> it depends on the thermostat you are using, we would need more details.
> On Wed, Jun 3, 2009 at 5:28 AM, Andrew Voronkov <drugdesign.yandex.ru>wrote:
> > I want to make 30-50 nanosecond run of the protein with explicit waters.
> > But I have limitations on our cluster for time of each job. Can I divide it
> > in several (let's say 5-10 nanosecond runs) without random seed or I need to
> > use random seed in each restart? (output rst -> input rst). Main question of
> > the study is to look at stability of the structure and make average
> > structure from stability parts of trajectpry.
> >
> > Best regards,
> > Andrew Voronkov
> >
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Received on Thu Jun 04 2009 - 01:10:57 PDT
