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

David spoel at xray.bmc.uu.se
Tue Apr 15 08:47:01 CEST 2003

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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