VMD-L Mailing List

From: Myunggi Yi (myunggi_at_gmail.com)
Date: Tue Aug 28 2007 - 16:35:49 CDT

I meant the order parameter could be applied
ONLY to "measure fit"
NOT to "measure rmsd"

Even after right fitting, you can't measure right RMSD.

On 8/28/07, Leonardo Trabuco <ltrabuco_at_ks.uiuc.edu> wrote:
> On Tue, Aug 28, 2007 at 10:22:35AM -0400, Myunggi Yi wrote:
> > I found another problem.
> >
> > "measure fit $sel $ref order {3 4 5 6 0 1 2}"
> >
> > This works, but the following doesn't.
> >
> > "measure rmsd $sel $ref order {3 4 5 6 0 1 2}"
> >
> >
> > I think I have to reindex again.
>
> Yes, the order parameter applies to the second selection.
>
> Cheers,
> Leo
>
> --
> Leonardo Trabuco, Ph.D. student
> Theoretical and Computational Biophysics Group
> University of Illinois at Urbana-Champaign
> 

-- 
Best wishes,
MYUNGGI YI
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