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

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 14 Sep 2010 22:52:05 -0400

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
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Received on Tue Sep 14 2010 - 20:00:03 PDT
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