Subject: Free Energy Pert Scripts in CHARMM

From: "Kirby, Robert" <[email-masked]>
Date: Thu, 25 Jul 96 08:41:00 PDT

CCL,
 I am looking for example scripts which do Free Energy Perturbation   
Calculations using CHARMM. I have a couple of short ones from MSI but   
they do not cover the real situation of a molecule inside a protein   
generated in QUANTA and submitted to a CHARMM FEP calculation by a CHARMM   
script. If anyone has one of these lying around could I get a copy of it   
at your convenience.
Thank-you
  Robert A. Kirby
  BioChem Therapeutiques Inc.
  275 Armand-Frappier Blvd.
  Laval, Quebec,
  H7V 4A7
  #514-978-7914
  fax 514-978-7777
  [email-masked]