AMBER Archive (2000)

Subject: VRAND

From: Craig Marhefka (cmarhefka_at_utmem.edu)
Date: Thu Sep 14 2000 - 08:48:49 CDT

I have a question concerning the vrand control flag and a restart situation.
If restarting a trajectory does vrand reassign the velocities at the
beginning of a restart. In other words when ntx =7 the velocities are read
in from the .rst file, however, does vrand reassign them before the run
begins?

Thanks a lot for insights.

Craig A. Marhefka
Department of Pharmaceutical Sciences
University of Tennessee
847 Monroe Ave. Suite 327
Memphis, TN 38163
e-mail: cmarhefka_at_utmem.edu
Lab: (901)448-7814
Office: (901)448-7530
Fax: (901)448-6828
___________________________________________
"The mind is not a vessel to be filled,
but a fire to be lighted"

Author Unknown
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