What about the energy output files (snapshot_com.all.out,
snapshot_rec.all.out, and snapshot_lig.all.out)? Have you looked at these?
Can you attach those or show the energies from some of the frames from those
files?
-Bill
On Fri, Jun 24, 2011 at 3:59 AM, Hirdesh Kumar <hirdesh.iitd.gmail.com>wrote:
> Hi Bill,
> It is giving only following odd message:
> No values for GB_SGBSOL existing -> Skipping
> No values for GB_BGBSOL existing -> Skipping
>
> The log file is attached for further reference. Please have a look on that
> as well.
>
> Thanks and Regards,
> Hirdesh Kumar
>
>
> On Fri, Jun 24, 2011 at 2:19 AM, Bill Miller III <brmilleriii.gmail.com
> >wrote:
>
> > What information was printed in the standard out and standard error
> files?
> > Or in your logfile from the calculation? Were there any messages in there
> > about missing values or anything else to suggest something went wrong?
> >
> > Also, what version of Amber/AmberTools are you using?
> >
> > -Bill
> >
> > On Wed, Jun 22, 2011 at 12:57 AM, Hirdesh Kumar <hirdesh.iitd.gmail.com
> > >wrote:
> >
> > > Dear All,
> > > This is regarding the per residue decomposition using perl script. I
> have
> > > got the output result without any error but the value of non polar
> > > solvation
> > > energy term *i.e. *SGBSUR, BGBSUR and TGBSUR* *are zero for protein,
> > > ligand, complex and delta as well.*
> > > *
> > >
> > >
> > >
> > >
> > > Considering the fact that it will affect the true decomposition
> > > contribution, please suggest me the mistake I am doing. Please find the
> > > attached input and output files.
> > >
> > > Thanks and Regards,
> > > Hirdesh Kumar
> > >
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > >
> >
> >
> > --
> > Bill Miller III
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Graduate Student
> > 352-392-6715
> > _______________________________________________
> > 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
>
>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 24 2011 - 06:00:03 PDT
