AMBER Archive (2009)

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

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• Reply: Andrew Voronkov: "Re: [AMBER] use of random seed in multiple runs"
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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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• Previous message: Germain Vallverdu: "[AMBER] Distance restraints between groups of atoms"
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• Reply: Carlos Simmerling: "Re: [AMBER] use of random seed in multiple runs"
• Reply: Gustavo Seabra: "Re: [AMBER] use of random seed in multiple runs"
• Reply: Andrew Voronkov: "Re: [AMBER] use of random seed in multiple runs"
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