amber-developers: dsum_tol and shake tolerance on energy conservation (another example)

From: Volodymyr Babin <vbabin.ncsu.edu>
Date: Mon, 8 Sep 2008 13:47:47 -0400 (EDT)

Dear All,

please see another example that might be of interest
(ethanol using gaff) attached.

With kind regards,
  Volodymyr



ETOT.jpg
(image/jpeg attachment: ETOT.jpg)

Received on Wed Sep 10 2008 - 06:07:27 PDT
Custom Search