[AMBER] A query about MMPBSA.py calcualtion

From: anu chandra <anu80125.gmail.com>
Date: Sun, 16 Aug 2015 14:45:50 +0100

Dear Amber users,

Will it going to effect the MMPBSA.py calculation if I do not have solvated
trajectories? ie., not feeding the command 'MMPBSA.py -sp' with a solvated
topology. I would like to remove water and ions from the trajectories (
while combining many trajectories) before feeding it to MMPBAS.py.

Many thanks in advance

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Received on Sun Aug 16 2015 - 07:00:03 PDT
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