AMBER Archive (2001)

Subject: calc free energy during dynamics

From: Eoin Galligan (paxeg_at_unix.ccc.nottingham.ac.uk)
Date: Thu Mar 08 2001 - 05:23:10 CST

Hi
I am interested in determing the free energy of my system during
dynamics within sander - could anyone point me in the right direction?

Thanks in advance
E.Galligan

tel: 0115 9515151 ext 66272
mobile: 07968 349629
mobile email: eoingalligan_at_sms.genie.co.uk
(160 char max)

Laboratory of Biophysics and Surface Analysis,
Institute of Pharmaceutical Sciences,
Nottingham University,
University Park,
Nottingham,
NG7 2RD,
UK