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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Received on Mon Sep 11 2023 - 00:00:02 PDT
