[gmx-users] g_rms warning
tsjerkw at gmail.com
Mon Mar 8 11:51:00 CET 2010
You'll have to use index groups to extract a trajectory and reference
that correspond. If you have those you can get on with the RMSD.
On Mon, Mar 8, 2010 at 11:44 AM, Carla Jamous <carlajamous at gmail.com> wrote:
> Hi everyone, please I just need a precision:
> I need to calculate the RMSD of a trajectory by comparing it to a reference
> structure that doesn't have the same number of atoms.
> Gromacs is calculating the RMSD, but meanwhile it generates this
> warning:"topology has 4839 atoms, whereas trajectory has 4834"
> Does it really affect the result of my RMSD or can I ignore it?
> gmx-users mailing list gmx-users at gromacs.org
> 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.
More information about the gromacs.org_gmx-users