AMBER Archive (2003)

Subject: Re: Energy calculation

From: Sichun Yang (syang_at_physics.ucsd.edu)
Date: Wed Feb 19 2003 - 20:51:11 CST

Thanks, Holger.
It seems it is for analyses of individual structures.
Any suggestion for analyses of MD trajectory?

On Wed, 19 Feb 2003, Holger Gohlke wrote:

> 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
> +++++++++++++++++++++++++++++++++++++++++++++
>
>