Hi dears,
I have generated around 10,000 conformations for a complex (bound-receptor) using MC simulation and now I attempt to perform MM-PBSA calculation to estimate binding-free energy of these conformations. each the conformations is in .PDB format, so I would be grateful if you advise me on how to carry this process. The big question is that whether I should convert them to trajectory format or not. If so, how can I do it.
I really appreciate for any advice.
Cheers,RS
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Received on Wed May 20 2015 - 00:00:02 PDT
