Re: [AMBER] MMPBSA failed

From: Albert <>
Date: Tue, 31 Jan 2017 15:57:07 +0100

probably not, I just run command line:

mpirun -np 12 -O -i -o
FINAL_RESULTS_MMPBSA.dat -sp sol.prmtop \
              -cp com.prmtop -rp rec.prmtop -lp lig.prmtop -y prod*.mdcrd

how can we specify to use sander?

On 01/31/2017 03:55 PM, Vlad Cojocaru wrote:
> When running the MMPBSA script, did you instruct to use sander ?

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Received on Tue Jan 31 2017 - 07:00:05 PST
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