[gmx-users] Gromos96 43A1 dihedrals

[David van der Spoel]

On Fri, 2002-12-20 at 07:01, nanyu101 wrote:
> Hi,
>   Would some one tell me about dihedrals' degree in ffG43a1bon.itp file?Why are they 180 or 0.00?What do they mean?
> If I want to creat a new molecule's topology,how can I determine the dihedrals?In improper dihedrals, the degrees are not 180 or 0?What should I do to calculate the degrees of dihedrals and improper dihedrals if I should create a new molecule's ffG43a1.itp file?
> 
manual chapter 4/5

> Bests,
> Xianhui Wu
> ______________________________________
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 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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