partially solvate the protein

From: Minmin Wang <>
Date: Mon 26 Jun 2000 16:10:32 -0400 (EDT)

Dear AMBER Users:

I am trying to simulate a system with partial of the protein is
solvated with explicit solvent while the remaining part of the molecule is
in gas phase with distance-dependent dielectric constant. The purpose of
this is to reduce the computational time since my target is a pretty large
system with more than 10,000 atoms. Will this be a plausible precedure and
could anyone give me suggestions how to prepare the solvent shell with

With best regards,


Minmin Wang
Chemistry Department, Emory University
1515 Pierce Dr., Atlanta, GA 30322
Tel:404-7276631 Fax: 404-7276586
Received on Mon Jun 26 2000 - 13:10:32 PDT
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