On Tue, Nov 13, 2012 at 7:13 AM, Vlad Cojocaru <
vlad.cojocaru.mpi-muenster.mpg.de> wrote:
> Dear Amber users,
>
> I noticed that the "parmstrip :WAT" command in cpptraj leads to a
> segmentation fault at runtime (AMBER 12, AmberTools 12).
> I run different tests and this behavior is specific to "parmstrip".
> "strip :WAT" runs absolutely fine.
>
You can try parmed.py or xparmed.py to strip water from the topology file.
Apart from this, I think we'll need to know more about your prmtop. Is it
a chamber topology? In this case, I don't think either cpptraj or parmed
will work.
Good luck,
Jason
>
> Did any of you notice this ?
>
> Best wishes
> Vlad
>
> --
> Dr. Vlad Cojocaru
> Max Planck Institute for Molecular Biomedicine
> Department of Cell and Developmental Biology
> Röntgenstrasse 20, 48149 Münster, Germany
> Tel: +49-251-70365-324; Fax: +49-251-70365-399
> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
> http://www.mpi-muenster.mpg.de/research/teams/groups/rgcojocaru
>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Nov 13 2012 - 06:00:02 PST
