On Wed, Dec 20, 2023, Dulal Mondal via AMBER wrote:
>Please response. I type the following command.
>$AMBERHOME/bin/MMPBSA.py --input-file-help.
>There is a section for RISM. Can I calculate electric field in this way on
>solvent molecule.
No: MMPBSA.py (even with the RISM option) computes estimates of free
energies, not electric fields.
...dac
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Received on Wed Dec 20 2023 - 11:00:02 PST
