Hello,
I am running MM-GBSA for the first time. I got a CalcError, please find the
output file attached. I also attach the mdin file, it includes some
parameters. The third file is a script file to run the calculation. All the
waters, ions, glycans were stripped from these four topology files. Could
you please help me solve the problem?
Looking forward to hearing from you.
Best regards,
Rui
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Received on Thu Dec 12 2019 - 19:00:02 PST
