[gmx-users] reference for urea.itp

David van der Spoel spoel at xray.bmc.uu.se
Mon Nov 20 15:57:41 CET 2006

singh wrote:
> Dear users,
> I couldn’t find any reference for parameters of urea mentioned in the 
> urea.itp file. Are these parameters optimized for use with opls force 
> field or gromos96ff.
You should check the charge and atomtype assignment in that file. It can 
be used with any force field if you just update the charges and 
atomtypes. I think this was made for gromos87.

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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