From: Saladino, Alex (saladinoac_at_upmc.edu)
Date: Thu Sep 18 2003 - 15:25:08 CDT
Hello fellow NAMDers,
I have a question about minimizations.
How do you know when your system has fully minimized?
Do people look at change in energies, absolute or relative? If not, what
else should I be looking at?
Thank you,
Alex
*************************************
Alexander C. Saladino, PhD
Department of Anesthesiology
University of Pittsburgh
*************************************
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:02 CST