Hi,
there is a perl script under
http://amber.ch.ic.ac.uk/tutorial/polyA-polyT_New/index.html
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
--
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Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037 USA
phone: +1-858-784-9788
fax: +1-858-784-8896
email: gohlke_at_scripps.edu
+++++++++++++++++++++++++++++++++++++++++++++
Received on Mon Jan 20 2003 - 08:44:13 PST
