Re: AW: AW: AW: Error in membrane protein simulation

From: Axel Kohlmeyer (
Date: Mon Sep 03 2012 - 15:13:39 CDT

On Mon, Sep 3, 2012 at 10:03 PM, Rajan Vatassery <> wrote:

> On a related note, I think VMD could add an error message in cases

VMD is a visualizer there doesn't care much what kind of data you feed it.

> where atoms are superimposed. While it wouldn't be widely useful, it
> would be easy enough to implement that it would be worthwhile
> expenditure of time.

you can easily write such a check with a few lines of VMD script code.
(loop over all atoms, create a selection with a reasonably short cutoff
around the current atom index, count the atoms in the selection, if it
more than 1 throw a warning, delete the selection).


> rajan

Dr. Axel Kohlmeyer
International Centre for Theoretical Physics, Trieste. Italy.

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