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

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Wed, 3 Jun 2009 14:55:24 +0100

Do you have any reason *not* tuo use a differend random seed for each run?

Gustavo Seabra
Postdoctoral Associate
Quantum Theory Project - University of Florida
Gainesville - Florida - USA
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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 - 01:09:28 PDT
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