AMBER Archive (2007)

Subject: AMBER: vdW parameters for chlorine atom

From: Austin B. Yongye (ayongye_at_chem.uga.edu)
Date: Wed Jan 17 2007 - 11:19:34 CST

Dear amber users,
I would like to generate parameters for a carbohydrate with a covalently
attached chlorine atom. I was wondering if there are vdW parameters for
such a chlorine atom in amber.

I found one posting, which had no response.
http://structbio.vanderbilt.edu/archives/amber-archive/2001/0967.php

gaff.dat and parm99.dat have vdW parameters, but I think polarizabilities
were included in the development of those parameters?

Thanks,
austin-
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