On Wed, Apr 21, 2004, Wen Li wrote:
>
> My sander job on a large system resulted in an error message: "rdparm: a
> parameter array overflowed". It seems the job requires the parameters of
> NUMBND, NUMANG, NPTRA, NPHB and NATYP orders of magnitude greater than
> default setting.
If you need values orders of magnitude bigger than the defaults, something is
drastically wrong. First, you need to look at the output and see which
parameter it is that is too big (compare your output to line 82 or thereabouts
of rdparm.f). And then you should try to figure out what there is about
your system that is making the required numbers so big--even a very large
protein only has a limited number of types of bonds, etc.
If you do change the code, the limits are in parms.h as well as in rdparm.f.
....dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Wed Apr 21 2004 - 18:53:00 PDT
