[gmx-users] Questions about urea.itp

David van der Spoel spoel at xray.bmc.uu.se
Thu Mar 12 07:52:55 CET 2009

Lee Soin wrote:
> Hello!
> Can the GROMACS topology file urea.itp be used with the OPLS force field?
> In urea.itp there are two sets of parameters, separated by "#ifdef" 
> directives. Which set should be used?

Check the literature.

> Thanks!
> -- 
> SUN Li
> Department of Physics
> Nanjing University, China
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
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