Dear AMBER developers and users,
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. My questions are the following:
1. Does modification on rdparm.f help?
2. Any other programs should be modified accordingly?
3. Would the modification on rdparm.f cause any consequences anywhere
else in the program execution?
Thanks!
Wen
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Received on Wed Apr 21 2004 - 17:53:00 PDT
