Hello,
I have a general question regarding gaff parameterization. I want to run MD
with GAFF for a conformational polymorphic crystal with many conformations.
Should I parametrize for one conformation and use the same for other
conformations or Is there any correct way to parameterize GAFF in case of
multiple conformations?
Best Regards,
Pradip Si
PhD Student
UNT, Texas
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Received on Tue Nov 26 2024 - 10:00:30 PST
