On Wed, Dec 25, 2013 at 7:01 AM, Asfa Ali <asfa.iisc.gmail.com> wrote:
> Hi,
>
> I am trying to calculate free energy of a complex by using mm_pbsa.pl.
> It has generated all the three out files- snapshot_com.all.out,
> snapshot_lig.all.out and snapshot_res.all.out. However, the
> snapshot_statistics.out is missing.
>
> So I tried to do it manually :
> #mm_pbsa_statistics.pl 1 0 snapshot_statistics.in snapshot_statistics.out
>
> But this shows :
> Calc delta from raw data
> No data for 0+0 MM BOND 0
>
> I checked with the ambermailing list but couldn't find a suitable ans
> to solve my problem. Kindly help
>
You need to provide more information about what you did for us to provide
useful advice.
That said, I would suggest trying MMPBSA.py, as many of the frequent
responders to this list are more familiar with that program.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Dec 25 2013 - 12:00:03 PST
