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How to predict the interface characters of single protein?

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Dear Authors, This is a really great work! Thank you! I wonder whether this script can be used on single protein ? And how ? BTW, I'm working on interaction...

gmx_MMPBSA: step3,awk: cmd. line:468: (FILENAME=_pid.pdb FNR=119376) warning: exp: argument 886.554 is out of range

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Dear Dr. Li, I have used gmx_MMPBSA.bsh to calculate the Gibes free energy. But the last step always reported error which is :awk: cmd. line:468: (FILENAME=_pid.pdb FNR=119376) warning: exp: argument...