[AMBER] extract energies from trajectory

From: Milo Westler <milo.nmrfam.wisc.edu>
Date: Thu, 4 Sep 2014 17:55:31 -0500

I have run a T-REMD simulation and extracted the trajectory (traj.nc) for a
certain temperature. Now I want to extract potential energies from that
trajectory. I can't figure out how to do that.


-- Milo
National Magnetic Resonance Facility at Madison
      An NIH-Supported Resource Center
W. Milo Westler, Ph.D.
NMRFAM Director
Senior Scientist
Adjunct Professor
Department of Biochemistry
University of Wisconsin-Madison
DeLuca Biochemistry Laboratories
433 Babcock Drive
Rm B160D
Madison, WI USA 53706-1544
EMAIL: milo.nmrfam.wisc.edu
PHONE: (608)-263-9599
FAX: (608)-263-1722
AMBER mailing list
Received on Thu Sep 04 2014 - 16:00:03 PDT
Custom Search