[gmx-users] Inclusion dynamics

David spoel at xray.bmc.uu.se
Tue Nov 8 20:54:23 CET 2005

On Tue, 2005-11-08 at 17:41 -0200, Robson Honorato wrote:
> Hi dear all,
> I´m trying to do a inclusion dynamics of a organic molecule into a
> beta-cyclodextrin cavity, but I don´t know what command I must use to
> do the organic molecule move into the cavity. What can I do to
> deslocate the organic molecule mass center.Where I must input this
> command?
Again, what do you mean? Translate a molecule you can do with 
editconf -translate (in 3.3)
> Thanks a lot for you attention.
> Regards,
> Robson Honorato
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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://xray.bmc.uu.se/~spoel

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