[gmx-users] Questions about urea.itp

[David van der Spoel]

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?
Neither.

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.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se