[gmx-users] restaints problem

David spoel at xray.bmc.uu.se
Thu Nov 28 16:01:09 CET 2002

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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