[AMBER] PMEMD trajectory and MMPBSA

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Mon, 14 Oct 2013 11:16:51 +0530

 

Hello

I have a query regarding MMPBSA calculation. I want to know that can I
use PMEMD or PMEMD.cuda generated trajectory to calculate binding free
energy using MMPBSA.py.

-- 
Sangita Kachhap
C/O Dr. Balvinder Singh
BIC
IMTECH
 
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Received on Sun Oct 13 2013 - 23:00:03 PDT