[gmx-users] restaints problem

[David]

On Thu, 2002-11-28 at 16:53, quantix1 at gmx.de wrote:
> Dear gromacs users,
> 
> I'm still trying to get familiar with the program. Could anybody
> please explain shortly how to constrain the centers of mass 
> of e.g. two phenyl rings to a certain distance. I'm sure it is 
> not complicated but I couldn't figure it out from the manual
> within a couple of hours.
> Thank you very much,
quick answer: not possible

slightly less quick: you may be able to do it by modifying the topology.
You'd have to introduce a particle at the center of the ring and then
freeze that.


-- 
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://zorn.bmc.uu.se/~spoel
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