[gmx-users] linear molecule

[David]

On Tue, 2003-08-05 at 09:39, Yuguang Mu wrote:
> I have a linear molecule motif, like C=C=C=C,
> Do you have some ideas to maintain such linear bonds ?
> 
Yes you have to use dummy particles for the atoms on the line.


> Dr. Yuguang Mu
> Institute for Physical and Theoretical Chemistry
> J.W. Goethe University Frankfurt am Main
> Marie Curie Str. 11
> 60439 Frankfurt/Main, Germany
> Tel: +49-(0)69-798-29711
> 
> 
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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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