Re: [AMBER] mm_pbsa.pl error for per residue decomposition.

From: manoj singh <mks.amber.gmail.com>
Date: Tue, 14 Sep 2010 22:55:57 -0400

Thanks for the reply,

Yes! I applied all bugfixes. This is Amber10.

--
On Tue, Sep 14, 2010 at 10:52 PM, Jason Swails <jason.swails.gmail.com>wrote:
> Have you applied all bugfixes?  What version of amber are you using?
>
> On Tue, Sep 14, 2010 at 9:59 PM, manoj singh <mks.amber.gmail.com> wrote:
>
> > Hi,
> >
> > I am using mm_pbsa.pl to do per-residue decomposition. The calculation
> > appears to be trapped in a infinite loop with the following message. I
> have
> > no clue what is going on and will be very thankful for any response.
> >
> > Manoj
> >
> > -----
> >
> >    No values for GB_TGBSUR existing -> Skipping
> >    Processing PB SPBSOL
> >        Doing 1 PB SPB
> >        Doing 1 GB SGBSUR
> >    No values for GB_SGBSUR existing -> Skipping
> >    Processing PB TPBTOT
> >        Doing 1 PB TPBSOL
> >    No values for PB_TPBSOL existing -> Skipping
> >    Processing PB BPBTOT
> >        Doing 1 PB BPBSOL
> >    No values for PB_BPBSOL existing -> Skipping
> >    Processing PB BPBSOL
> >        Doing 1 PB BPB
> >        Doing 1 GB BGBSUR
> >    No values for GB_BGBSUR existing -> Skipping
> >    Processing PB SPBTOT
> >        Doing 1 PB SPBSOL
> >    No values for PB_SPBSOL existing -> Skipping
> >    Processing PB TPBSOL
> >        Doing 1 PB TPB
> >        Doing 1 GB TGBSUR
> >    No values for GB_TGBSUR existing -> Skipping
> >    Processing PB SPBSOL
> >        Doing 1 PB SPB
> >        Doing 1 GB SGBSUR
> >    No values for GB_SGBSUR existing -> Skipping
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Sep 14 2010 - 20:00:05 PDT
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