Date: Mon, 20 Jan 2003 08:44:13 -0800
From: Holger Gohlke
Subject: Re: script for Potential/kinectic energy

Hi,

there is a perl script under
http://www.amber.ucsf.edu/amber/tutorial/polyA-polyT/process_mdout.perl
that extracts "TEMP, TSOLUTE, TSOLVENT, PRES, EKCMT, ETOT, EKTOT, EPTOT,
DENSITY, VOLUME" from the mdout files.

Best regards

Holger


> Hi,
> Please does anyone has a script that
> can extract energies from MD output file
> that will calculate a ratio of
> Kinetic/Potential energy.I want
> to use it to plot this ratio
> against time in ps for my MD run.
> AMBER7 format. Thanks
>
> Looking forward to hearing from you.
>
> Layi