define the QM

From: Zhangxd <zhangxd_at_alien.biochem.wfubmc.edu>
Date: Wed 10 Jan 2001 15:35:57 -0500

hi,

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,

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