[gmx-users] where are RB dihedral force constants!

[David]

On Tue, 2003-04-15 at 08:30, nanyu101 wrote:
> Dear gmx-users,
>   
>   If I want to simulate my system with RB dihedral type,how can I find the other force constants in ff*bond.itp file?I just found there is only one force constant in ff*bond.itp file,where is the others? Would you please tell me this?
> 
There is only one real Ryckaert Bellemans potential, for alkanes. If you
want others you have to define them yourself. E.g. the OPLS force field
has lots of them.
> Best wishes,
> XIanhui Wu
> ______________________________________
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-- 
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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