Re: [AMBER] Unknown PB option use_sav=0

From: Ray Luo <rluo.uci.edu> Date: Sun, 21 Mar 2021 17:04:37 -0700

--
Ray Luo, Ph.D.
Professor of Structural Biology/Biochemistry/Biophysics,
Chemical and Materials Physics, Chemical and Biomolecular Engineering,
Biomedical Engineering, and Materials Science and Engineering
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
On Sat, Mar 20, 2021 at 1:09 AM Lennart Gundelach
<L.Gundelach.soton.ac.uk> wrote:
>
> 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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