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Date: Thu, 26 Aug 2004 12:41:01 -0400
From: Vasiliy Znamenskiy <znamensk@sci.ccny.cuny.edu>
Subject: to  modify water atoms which are closest to quantum atoms  of solute
 into quantum atoms
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Hi,

Is there in nwchem some command which during qm/mm 
calculations allows the automatic detection of water 
molecules which are located close to quantum atoms of the 
solute and modifies these closest water atoms into quantum 
atoms?

Thank you,
Vasiliy