Hi, have you checked the structures? Try with ambpdb -p X.prmtop <X.crd>
X.pdb and check if all the structures are correct.
If not, check if the right number of atoms in the input file is the same of
the pdb.
Hope this helps.
Rubben
2010/10/20 Kshatresh Dutta Dubey <kshatresh.gmail.com>
> Dear all,
>
> I am using amber 10 on suse Linux enterprise. When i am running
> mm_pbsa.plfor snapshot generation and stability calculation every
> thing is OK, but
> during the binding energy calculation, there is error in statistics.out. I
> am attaching the log file for binding energy calculations.
> Kindly help me to overcome this issue.
> Thanks in advance
> Kshatresh Dutta Dubey
>
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Received on Wed Oct 20 2010 - 01:00:04 PDT
