[gmx-users] least squares fit

[Tsjerk Wassenaar]

Hi Ram,

Yes.

Tsjerk

PS. Do mind that the PBC are not preserved in that case.

On Thu, Oct 2, 2008 at 7:54 PM, rams rams <rams.crux at gmail.com> wrote:
> Dear users,
>
> While doing the least squares fit, if I choose the "protein" as input group
> and "system" as output group, does it mean that the protein coordinates are
> rotated to give the best fit and the coordinates of the solvent and ions are
> modified with the same rotation matrices used for the protein fit ?
>
> Ram.
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>



-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623