Hi List,
I tried to run gbsa and pbsa using ambertools18. Gbsa produces output
without any issues with prmtop files. However, pbsa throws calc error with
complex.prmtop files. I have changed the default parameter for radiopt to
0.
How can I get this running?
let me know if I should provide further information.
Regards,
Neha
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Received on Thu Dec 17 2020 - 13:30:02 PST
