Subject: how to solvate a molecule using charmm

From: Mao Xiang <[email-masked]>
Date: Fri, 18 Feb 2000 15:52:13 +0800

Hello, everyone:
   I am a new user for charmm, and here are two question that I need
some help. I am studying a enzyme about 700 amino acid, and I want to
solvate it in water before doing minimization. I am not quite sure how
to solve it,  I have tried to solvate with tip526.crd, but it only
solvate only a part of my enzyme, I am afraid the box is too small to
it. So I wonder if there are some one can give me some input examples
for generate big box. 
   Another question is that I noticed that there are some reports that
introduced the water drople model about solvation, I also wish some one
could give me some examples. 
  Hope my questions do not give you too much trouble. Thanks in advance.

Regards,
mao

  ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|  Xiang Mao                                                     |
|  Lab of Molecular Regulation for Microbial Secondary Metabolism |
|  Shanghai institute of Plant Physiology, Academia Sinica        |
|  300 Fenglin Road, Shanghai, China, 200032                      |
|  Tel: +86-21-64042090-4791                                      |
|  Fax: +86-21-64042385                                           |
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