AMBER Archive (2006)

Subject: Re: AMBER: script to extract data from minimization .out file

From: sangeeta_at_bioinfo.ernet.in
Date: Sat Jul 08 2006 - 05:41:44 CDT

Hi Tanya,
Sorry. Pl. ignore my earlier email as I missed the word "minimization" in
your email. The perl scipt I mentioned processes the .out files from MD
runs of Sander.
Sangeeta
On Sat, 8 Jul 2006 sangeeta_at_bioinfo.ernet.in wrote:

> Hi Tanya,
> You may also use the perl script "process_mdout.perl", available with
> Amber. For details, have a look at the Amber Workshop Tutorial 2 Section
> 3.
> Best wishes,
> Sangeeta Sawant
> Bioinformatics Centre
> University of Pune
> India
>
> On Fri, 7 Jul 2006, Tanya Johannsen wrote:
>
> > Dear AMBER community:
> >
> > Does anyone have a script that can extract information
> > (such as ENERGY) from a minimization .out file and put
> > it in a data file that can be easily plotted? If
> > anyone has such a script, I would be very grateful if
> > I could borrow it. I looked at the listserv archive
> > and tried the "plotamber" program that was suggested,
> > but it doesn't seem to work on AMBER 8.
> >
> > Thank you very much in advance for any suggestions.
> >
> > Tanya
> >
> >
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