define the QM

From: Zhangxd <>
Date: Wed 10 Jan 2001 15:35:57 -0500


For a protein, I want to deal with it with ROAR. After this protein is
solvated with solvatebox216, can I define the QM part including some water
molecules and residues? if so, how to define? Thanks in advance!

With best regards,

Received on Wed Jan 10 2001 - 12:35:57 PST
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