[gmx-users] reference for urea.itp

[David van der Spoel]

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.
________________________________________________________________________
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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