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
==================================================================
Received on Tue Jan 14 2003 - 08:19:24 PST