On Wed, Jul 31, 2013 at 5:43 PM, Kumar Sonu
<sonu.bioinformatics.gmail.com>wrote:
> Hi Jason,
>
> Thanks for your reply!
> But I am not able to figure it out how should I input my output to pymbar.
>
You need to re-run your TI with the ifmbar flag set.
>
> where can I find this mdout2pymbar.pl script??
>
It is released with AmberTools 13. It should be in $AMBERHOME/bin. I
believe it is used like
mdout2pymbar.pl yourfile.mdout > mbar_stats.dat
but you may have to experiment.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Jul 31 2013 - 20:30:02 PDT
