There seems to be something wrong with the the calculations with the
receptor. The calculation stopped while trying to calculate the energies for
the first snapshot of receptor. Have you checked the snapshots generated for
the receptor? You should visualize them and make sure there are no problems
with the extracted coordinates.
Good luck!
-Bill Miller
On Sat, Mar 27, 2010 at 2:25 PM, mish <smncbr.gmail.com> wrote:
> Hi all,
> I am trying to compute BE using MM-PBSA.pl script. I am really to detect
> the
> problem but mu calculations are not generating snapshot_lig.all.out and
> snapshot_statistics.out files.
> i am attaching my input files and snapshot_com.all.out
> snapshot_rec.all.out
> files. please can anyone pointout the problem..
>
> thanking u
> mish
>
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Received on Sat Mar 27 2010 - 12:30:02 PDT
