Re: [ESPResSo-users] can no longer select particle type in VMD

[Peter Kosovan]

Just to add to what Olaf has said: If you want to use your current vtf file with the current vmd, a simple workaround is to open your existing vtf file and remove all information about charges. Then read it into the vmd and the particle types work as they should.

Regards,

peter

On Thu, Feb 28, 2013 at 10:44 AM, Olaf Lenz <address@hidden> wrote:

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Hi!

On 02/28/2013 10:31 AM, Koen Nickmans wrote:
> I recently reconfigured espresso from the standard set-up. It
> worked fine, except that vmd can no longer select different
> particle types when displaying the vtf file after a simulation.

> So my question is, where does this originate from, and how can I
> avoid it?

This is a known problem with the VTF reader plugin of VMD. It will be
fixed in the hopefully-soon-coming release 1.9.2 of VMD.

If you do not have charged particles in your system, simply turn off the
feature "ELECTROSTATICS" in your myconfig.h. That would be a simple
solution.

Furthermore, the development code of ESPResSo contains a workaround for
the problem.

Olaf

- --
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
Phone: +49-711-685-63607
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