RE: run different simulation of the same system by using different initial velocities

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Thu May 24 2018 - 08:28:06 CDT

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Just run it again. MD algorithms diverge pretty quickly, especially if you don't specify a seed. In that case, NAMD generates a seed from the system time, which will be different enough to get you new velocities.
-Josh

On 2018-05-24 06:42:16-06:00 owner-namd-l_at_ks.uiuc.edu wrote:

Dear all,
how can I run different simulation of the same system by using different initial velocities?

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