[AMBER] MMPBSA.py.MPI

From: George Tzotzos <gtzotzos.me.com>
Date: Fri, 08 May 2015 21:24:20 +0200

Im using AmberTools13 on OSX v.10.9.5 2x6 core Intel Xeon processor.

MPI versions of pmemd, etc work fine but somehow mmpbsa.py.MPI was NOT installed.

The serial installation of mmpbsa.py works fine.

Id like to install the MPI version without reinstalling AmberTools de novo. $AMBERHOME/src does not contain a mmpbsa_py directory. So Im stuck.

Any suggestions for a workaround?

Thanks in advance

George


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Received on Fri May 08 2015 - 12:30:02 PDT
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