Its tough to address your problem with this limited information.
Could you tell more about the system and share you mmgbsa input file?
On Monday, April 13, 2020, Lara rajam <lara.4884.gmail.com> wrote:
> Dear AMBER
> I am interested in calculating MMGBSA , when I tried for the complex (
> protein ligand complex)
> I got a value of
> DELTA TOTAL -5917.4803 1224.2734
> 244.8547
> Can anyone tell me what could be wrong? , I checked prmtop all seems good.
>
> Any inputs will be appreciated.
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--
Best Regards
Elvis Martis
Mumbai.
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Received on Mon Apr 13 2020 - 12:00:01 PDT
