AMBER Archive (2002)

Subject: The crystal water is solute or solvent during solvation

From: Ling Zhang (lz267_at_nyu.edu)
Date: Fri Jun 28 2002 - 13:58:08 CDT

Dear all,

In Leap of Amber6, when solvating a system which includs the crystal water, the crystal water should be regarded as a part of solute or a part of solvent? If the crystal water should be regarded as a part of solvent, how to realize it in Leap, since Amber regard them as solute as default. Thanks a lot.

Ling