Jason is right. You can follow the entropy tutorial
<
http://ambermd.org/tutorials/advanced/tutorial3/py_script/section5.htm>
and re-run the
entropy calculation again to generate the csv file. If I recall correctly,
by adding the flag "-eo", you can generate a csv output. You can try and
check the Amber manual for more details.
Something like this:
$AMBERHOME/bin/MMPBSA.py -O -i mmpbsa.in -o FINAL_RESULTS_MMPBSA.dat -sp
1err.solvated.prmtop -cp complex.prmtop -rp receptor.prmtop -lp
ligand.prmtop -y *.mdcrd *-eo xxx.csv*
HTH,
Pin-Chih
On Tue, Mar 1, 2016 at 6:56 AM, Jason Swails <jason.swails.gmail.com> wrote:
>
>
> > On Mar 1, 2016, at 3:51 AM, Ayesha Kanwal <ayesha_comsian.hotmail.com>
> wrote:
> >
> > Respected Jason,
> > I just want values as a sample because I want to plot graph on it.
> That's why I was asking for that.
>
> This still doesn't make sense for the same reasons I gave in my last
> response.
>
> If all you want is data to practice plotting, then you should just use
> some data you already have or, if you have none (??), generate some random
> data using a spreadsheet or some script.
>
> HTH,
> Jason
>
> >
> > On Mon, Feb 29, 2016 at 9:48 AM, Ayesha Kanwal <
> ayesha_comsian.hotmail.com>
> > wrote:
> >
> >>
> >> Dear Amber users,
> >> If any one have entropy values calculated by using amber advanced
> tutorial
> >> then please inbox me I want them in csv format.
> >
> > T
> > his request does not make any sense. Entropy is system-dependent, so if
> > you don't know what system the entropies came from (or how they were
> > calculated), then they are no different from random numbers.
> >
> > HTH,
> > Jason
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--
Pin-Chih Su, Ph.D.
https://sites.google.com/site/2015pcsu/home
Center for Pharmaceutical Biotechnology (MC 870)
College of Pharmacy, University of Illinois at Chicago
900 South Ashland Avenue, Room 1052
Chicago, IL 60607-7173
office 312-996-5388
fax 312-413-9303
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Received on Sat Mar 12 2016 - 14:30:04 PST
