Dear Rubben
Thanks for your reply. I checked all structures and it is quite correct but
problem still remains same.
Kshatresh
On Wed, Oct 20, 2010 at 1:11 PM, Rubben Torella <rubben.torella.gmail.com>wrote:
> 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
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 20 2010 - 01:30:03 PDT
