I believe mbondi is the default.
-Bill
On Mon, Sep 11, 2023 at 1:34 AM Kankana Bhattacharjee via AMBER <
amber.ambermd.org> wrote:
> Dear AMBER users,
>
> I have performed MM-PBSA calculation of protein-ligand complex using amber
> 22 version. I am trying to reproduce one paper, so for that purpose I chose
> "inp=1" and accordingly radiopt was "0" by the tool itself. I would like to
> mention that, I dint mention "set default PBRadii option" during generating
> the prmtop files. because, while I was practicing the RAS-RAF tutorial, at
> that time during mmpbsa run it was showing some error by saying
> inconsistent prmtop files. That's why, I removed the PBRadii option and did
> the MMPBSA, then it worked correctly. I would like to know that,* if we
> dont select the PBRadii option during generating the prmtop files, then
> from where PBRadii will be taken for calculating MM-PBSA calculation ? Will
> it be from the generated prmtop files ? *
>
> *Thanks & Regards*
> *Kankana Bhattacharjee*
>
>
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> 09/11/23,
> 12:03:02 PM
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--
Bill Miller III
Assistant Professor of Chemistry
Truman State University
417-549-0952
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Received on Mon Sep 11 2023 - 14:30:02 PDT
