[gmx-users] (no subject)

TJ Piggot t.piggot at bristol.ac.uk
Tue Jan 24 12:46:47 CET 2006

Prodrg will not do atom typing for the opls FF. You need to look in the 
ffoplsaa.atp file for the atom types and pick the best suited atom type for 
your atoms. Also looking at the files for the opls FF (found on the gromacs 
site) that includes DNA/RNA may help in choosing the best suited atom type 
as this FF has to include ribose.

Hope that helps


TJ Piggot
t.piggot at bristol.ac.uk

--On Tuesday, January 24, 2006 01:51:27 -0800 leafyoung81-group at yahoo.com 

> Try prodgr?
> Yang Ye
> aloks at mbu.iisc.ernet.in wrote:
> Hi all,
> I am a new user to gromacs. I am trying to simulate sugar in its binding
> site using opls force field. But finding problem in giving the atom type.
> can anybody tell me how to name sugar atoms in opls force field.
> thanks
> alok
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