Hello all.
Currently I'm calling MMPBSA.py twice, with 2 different input files, to get
separate pairwise and perresidue decomposition .dat files.
Is there an input flag that I could use in the same .in file to generate
both outputs from a single call?. It would seem reasonable that the
pairwise decomp should have enough information to yield both.
thanks in advance!
Best
Pedro
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Received on Mon Oct 30 2023 - 11:00:02 PDT
