AMBER: extracting energy from trajector?

From: MURAT CETINKAYA <cetinkayam.psu.edu>
Date: Wed, 24 Nov 2004 13:33:04 -0500 (EST)

Hi all,

I need to extract the energy values of my system from my trajectory file created
by sander. I have lost my mdout file so, I will either re-run the simulation
(but i do not have time for it) or find a way to get these energy data from my
crd file.

Any kind of help is really appreciated.

Thanks
Murat Cetinkaya
Murat CETINKAYA
Biomolecular Materials Lab,
Dept. of Engr. Science and Mechanics,
The Pennsylvania State University,
University Park, PA 16802
office: (814) 863 9967
web: www.personal.psu.edu/muc176
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Nov 24 2004 - 18:53:00 PST
Custom Search