[AMBER] Plumed

From: David Beveridge <beveridge.david.gmail.com>
Date: Tue, 2 Nov 2010 10:42:03 -0400

Has anyone else tried to reproduce using PLUMED the PMF obtained for n-
butane using AMBER in Dr. Ting Wang's PMF/WHAM Tutorial at

I have it working OK but there is an issue.

David L. Beveridge
Joshua Boger University Professor of
Natural Sciences and Mathematics
Chemistry Department and
Molecular Biophysics Program
Wesleyan University
Middletown Ct 06459
Tel 860 685 2575
Fax 860 685 2211
AMBER mailing list
Received on Tue Nov 02 2010 - 08:00:03 PDT
Custom Search