nmode in amber5

From: Scott E. Boesch <sboesch_at_chemdept.chem.ou.edu>
Date: Tue 14 Dec 1999 07:28:20 -0600

Hello,

I'm using the nmode utility in amber5. I recompiled it after I
changed the parameters MAXMEMX, MAXMEMI, and naxdup in
amber5/src/nmode/sizes.h and I redimensioned the scr arrays
in amber5/src/nmode/forces.f

When I try the calculation, I now get

    Number of non-bonded pairs = 510002
    Number of H-bonded pairs = 0
      Insufficient memory to hold
      nonbonded pair list
      Memory available for list = 1637

          ***** ERROR STOP *****

Does anyone have any suggestions on what I need to do?


Regards,

Scott 



-- 
Scott E. Boesch
102 Chemistry Building         Voice: (405)-325-3502
Department of Chemistry        Fax:   (405)-325-6111
The University of Oklahoma     Email: scott_at_osric.chem.ou.edu
Norman, Oklahoma 73019                sboesch_at_chemdept.chem.ou.edu
Received on Tue Dec 14 1999 - 05:28:20 PST
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