AMBER Archive (2003)

Subject: Re: chloroform, dichlormethane f.f.

From: David A. Case (case_at_scripps.edu)
Date: Tue Jan 14 2003 - 10:19:24 CST


On Tue, Jan 14, 2003, Arvid Soederhaell wrote:

>
> Does anybody have the parameters for chloroform or dichlormethane? Or
> maybe you have seen a paper where these molecules are simulated? (No
> matter the forcefield.)
>

There is a chloroform box in solvents.lib, and a frcmod file "frcmod.chcl3"
that may help (all under amber7/dat/leap).

..hope this helps....dac

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================