From: Raul Araya Secchi (arayasecchi_at_hotmail.com)
Date: Fri Nov 11 2005 - 09:39:41 CST
Hello NAMD Users....
Im wondering if anybody knows if one can set up an alchemical FEP
calculation with a minimization step prior to the equilibration and
production stage?
Please help....
Raul
_________________________________________________________________
MSN Amor: busca tu ½ naranja http://latam.msn.com/amor/
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:08 CST