Am Donnerstag, 6. April 2006 22:20 schrieb sishi.tang.utoronto.ca:
> Hi all,
>
> I'm trying to be MM-GBSA based free energy decomposition. The method works
> in general but fails for one specific residue. An error was given as
> follows:
>
> Argument " Missing BGB for GB in 1+1 (residue 3" isn't numeric in add
> at /aspirin/software/amber7/amber7/src/mm_pbsa/mm_pbsa_statistics.pm line
> 1482, <IN> chunk 18.
> 1)
>
> Does anyone have any idea what this means or how to solve it?
Could you have a look at the ...all.out files generated by mm_pbsa.pl? Is
there any value missing in the BDC sections?
Best regards
Holger
>
> Thanks,
> Sishi.
>
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--
++++++++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
J.W. Goethe-Universitaet
Fachbereich Biowissenschaften
Institut für Zellbiologie und Neurowissenschaft
Max-von-Laue-Str. 9
60438 Frankfurt/Main
Germany
Tel.: (+49) 69-798-29411; Fax: (+49) 69-798-29527
Email: gohlke.bioinformatik.uni-frankfurt.de
URL: http://www.uni-frankfurt.de/~hgohlke
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Received on Wed Apr 12 2006 - 06:07:05 PDT
