AMBER Archive (2009)

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

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Jun 03 2009 - 05:13:23 CDT

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_at_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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