[AMBER] mmpbsa calculation

From: elham sattarinezhad <rose.chemi.gmail.com>
Date: Tue, 12 Jan 2016 14:23:53 +0330

I have performed three independent ligand-protein molecular dynamics
simulations (10 ns) . To calculate free binding energy by mmpbsa method,
can I use of all three ".nc" files in one step?
Or should I calculate delta G for each run independently, and average of
three delta G?
all three MD calculations are the same but have different starting points.
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Received on Tue Jan 12 2016 - 03:00:03 PST
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