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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Received on Mon Apr 13 2020 - 11:30:02 PDT
