> For the Cl-, the IM is the only atom type I found in the parm94.dat.
> Did I miss anything?
I've never used mmpbsa, so just guessing: maybe it's set up for
other ff's and needs IM added somewhere.
> And any suggestion for "PB bomb in pb_reslist(): maxnbr too small" issue?
You could search for the error msg. One answer seems to be to increase
cutres.
Bill
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Received on Thu Dec 02 2010 - 14:00:03 PST
