> Number of NB Res pairs =******** exceeds max = 82805
>
> My question is how to change the Max Nonbonded Pairs?
> I found this variable is not defined in the anal directory
> where is this localted?. How to change it?
I don't have the source code, but here is what I would try:
cd to source dir
grep "exceeds max =" *.f
look at the source and see what var is being printed as the max
find where it is set and change it (grep -i varname *.[fh])
The var should be set somewhere in the source.
Bill
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Received on Wed May 20 2009 - 13:16:31 PDT
