[gmx-users] opls parameters

[David]

On Tue, 2003-07-15 at 16:25, quantix1 at gmx.de wrote:
> Hi everybody,
> 
> I need to include a couple of unusual amino acids/molecules in the opls
> force field.
> The topology is set already, but there are some parameters missing. I can't
> see
> where the connection between the atom types (rtp and atp file) and the names
> (ffoplsbon.itp ..) is made. It's probably something obvious but I seem to be
> blind.

what kind of parameters?

ther is also ffoplsnb.itp for nonbondeds
> Thanks for your help,
> 
> Uwe
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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://xray.bmc.uu.se/~spoel
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