VMD-L Mailing List

From: Ishwar Hosamani (hosamani_at_ualberta.ca)
Date: Tue Mar 26 2013 - 16:21:43 CDT

Hello Yarrow,

This might seem silly and has happened to me before.
Have you checked the number of atoms in both your structures.
It is possible that one of your structures is solvated while the other is not.
Get rid of the water molecules and you should be good to go.

Cheers,

On 2013-03-26, at 1:10 PM, Yarrow Madrona wrote:

>
> Hi,
>
> I know this is a basic question but I am having trouble alining two very
> similar molecules (98% seq homology) based on a heme selection. Each time,
> I get the following complaint,
>
> measure fit: selections must have the same number of atoms
>
> A similar result happens when I try to use the RMSD caclulator extension.
> Any help would be appreciated. Thank you.
>
> --
> Yarrow Madrona
>
> Graduate Student
> Molecular Biology and Biochemistry Dept.
> University of California, Irvine
> Natural Sciences I, Rm 2403
> Irvine, CA 92697
>
>
>

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