[gmx-users] A special type of interaction

David van der Spoel spoel at xray.bmc.uu.se
Mon Apr 23 12:44:46 CEST 2007

Александр Журавлев wrote:
> Hallo Gromacs users! Let me ask you a question. In my ligand-receptor system I have a special type of interaction between aromatic rings of amono acid and ligand, that depends significantly on the distance and angle between two aromatic planes. What type of constraints should I use in the top file to specify this interaction and its energy for a given position?
> Thank you!
please be more specific.
can't you model it as atom-atom interactions?
constraints won't help you.

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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se

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