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

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?

This archive was generated by hypermail 2.1.6 : Fri Sep 20 2019 - 23:19:42 CDT