Hi everyone,
I have a small doubt regarding MM-PBSA.
I have carried out 1000ns simulation for a dimer and on both dimeric unit I have a ligand SAM (residue number 301 and 602). Is there any way that I can carry out the MM-PBSA for both ligand separately?
As of now after computing the binding energy it is not clear that result is for SAM 301 or 602.
Any suggestion will be highly appreciated.
with regards,
Abhishek
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Received on Tue Jun 18 2019 - 11:30:02 PDT
