[AMBER] Unknown PB option use_sav=0

From: Lennart Gundelach <L.Gundelach.soton.ac.uk>
Date: Sat, 20 Mar 2021 08:07:50 +0000

Hi,

I am trying to run an MMPBSA calc in MMPBSA.py with the option use_sav=0. However the keyword in not recognized neither when used in the basin MMPBSA.py input file nor when using a manually modified _MMPBSA_pb.mdin file and the -use-mdins option.

Is this keyword not supported in the python implementation of the pbsa module?

Thanks,

Lennart
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Received on Sat Mar 20 2021 - 01:30:02 PDT