mm_pbsa nmode calculation

From: <>
Date: Wed, 23 Apr 2003 14:33:17 -0400 (EDT)


I'm running the tutorial for mm_pbsa and I have two
question about the nmode calculation.

First - the restart file generated by -
sanmin_lig.1.restrt for the calculation is not human-
readable. How can I get one that contains the typical

Second - I get an error message when tries
to run nmode with this restart file, I run into memory

Total memory required :
 20855890 real words

Total memory avail : 3500000 real words

Total memory required : 80201 integer words

Total memory avail : 4000000 integer words

Maximum nonbond pairs 3919798
increase the real memory by 17355890 words

I thought amber programs were compiled to run systems
of 30,000 atoms or so. The system in this tutorial has
~3000. Do I need to recompile nmode or can this have
something to do with the restart file?


Suzie Byun
Received on Wed Apr 23 2003 - 19:53:01 PDT
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