Berk Hess wrote: > > > >> From: Dr Itamar Kass <[EMAIL PROTECTED]> >> Reply-To: Discussion list for GROMACS users <[email protected]> >> To: Discussion list for GROMACS users <[email protected]> >> Subject: [gmx-users] rotational fit in XY plane only >> Date: Wed, 02 May 2007 19:44:12 +0800 >> >> Hi all, >> >> I study a protein which is moving toward an interface during my >> simulation. In order to analyse the why the protein is bound to the >> interface I want to fit all my results. There is no problem with >> translational fit, but I want to do rotational fit only in the XY plane. >> Is there a nice way of doing so? >> >> Best, >> Itamar > > Currently there is not. > I would like to have that feature as well. >
can't you simply set all z-coordinates to zero and carry out a 3D fit as usual? (you may get a problem with mirror images, but the handedness is anyway not anymore uniquely defined once you project on 2D). Bert ______________________________________ Bert de Groot, PhD Max Planck Institute for Biophysical Chemistry Computational biomolecular dynamics group Am Fassberg 11 37077 Goettingen, Germany tel: +49-551-2012308, fax: +49-551-2012302 http://www.mpibpc.mpg.de/groups/de_groot _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
