Re: [AMBER] use of random seed in multiple runs

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Wed, 3 Jun 2009 11:13:23 +0100

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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 04 2009 - 01:07:42 PDT
Custom Search