Dear AMBER support,
I was wondering if any of you have any suggestions for me about how to go
about performing an MMGB-SA or MMPB-SA calculation in which contributions
from certain receptor atoms are excluded. In particular I am looking at
the binding of nucleotide analogs and I believe that my results have a lot
of error associated with the high charge in the triphosphate groups; thus
I would like to exclude the atoms in these groups from my calculations.
Thanks,
Holly
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Received on Tue Dec 16 2014 - 17:00:02 PST
