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.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
> >
> >
> > __________________________________________________
> > Do You Yahoo!?
> > Tired of spam? Yahoo! Mail has the best spam protection around
> > http://mail.yahoo.com
> > -----------------------------------------------------------------------
> > The AMBER Mail Reflector
> > To post, send mail to amber.scripps.edu
> > To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
> >
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jul 09 2006 - 06:07:25 PDT
