AMBER Archive (2003)

Subject: Re: Energy calculation

From: Holger Gohlke (gohlke_at_scripps.edu)
Date: Wed Feb 19 2003 - 16:54:30 CST

Hi,

have a look at the program ANAL of AMBER, in particular section 6 of the
input description in the manual.

Best regards

Holger

> I have a naive question.
> When I have got the trajectory, which program can I use to get the local
> energy (e.g. BOND,
> Torsion) for a short peptide(say, 5 residues) instead of the whole system?
>
> Sorry if this question has been asked and answered before.
>
> Thanks,
> Sichun 

-- 
+++++++++++++++++++++++++++++++++++++++++++++
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
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