From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Mon Oct 08 2012 - 12:54:52 CDT
The random velocity distribution is calculated in WorkDistrib.C in the routine WorkDistrib::random_velocities(). The method used is borrowed from the X-PLOR program.
On Oct 8, 2012, at 6:46 AM, Namd Namd wrote:
> Dear NAMD users,
> How does NAMD generate a random velocity distribution and assign the initial velocities for all the atoms at the desired temperature ? Which formulas does NAMD use for this operation ?
> Thanks for the help.
-- David J. Hardy, Ph.D. Theoretical and Computational Biophysics Beckman Institute, University of Illinois dhardy_at_ks.uiuc.edu http://www.ks.uiuc.edu/~dhardy/
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