Hello every,
I am trying to calculate binding free energy of a protein/ligand system using mm-pbsa.py. And get the error: Sander output is missing values! VDWAALS=**********
I have tried to change my input prmtops still get the same error
does anyone have this problem and any suggestion is greatly welcomed
thanks
Pang Xueqin
DICP CAS
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Received on Mon Jan 04 2010 - 01:00:03 PST
