Dear all Amber friends,
I met a problem in calculating the MM-PBSA. I have 4000 snapshots in total, but when I use the "mm_pbsa.pl" script to calculate the binding energy, I met some mistakes in the final period. Now my question is how can I restart the calculation from the stop point, that is not recalculate from stratch.
2011-05-08
geyan
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Received on Sun May 08 2011 - 06:30:03 PDT
