"Fang, Jianwen" schrieb:
>
> Dear all,
> when I run mm_pbsa, it gives me
> FORTRAN STOP
> MAXAT=10000 exceeded
The error occurs because molsurf (see source in $AMBERHOME/src/mm_pbsa)
by default only accepts < 10000 atoms. So you need to increase the
parameter MAXAT in molsurf.h to something larger than your system size
and recompile molsurf (do a "make install" in $AMBERHOME/src/mm_pbsa).
Best regards
Holger
>
> My system has more than 10000 atoms. My question is: is there any way I overcome the problem? Maybe change a parameter somewhere?
> Thanks in advance!
> JF
>
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--
++++++++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
J.W. Goethe-Universität
Fachbereich Biologie und Informatik
Institut für Mikrobiologie
Marie-Curie-Str. 9
60439 Frankfurt/Main
Germany
Tel.: (+49) 69-798-29411; Fax: (+49) 69-798-29826
Email: gohlke.bioinformatik.uni-frankfurt.de
URL: http://www.rz.uni-frankfurt.de/~hgohlke
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Received on Thu Apr 29 2004 - 08:53:00 PDT
