Hi,
What version of cpptraj are you using. Also, can you please post your
complete input and output? Thanks.
-Dan
On Tue, Oct 4, 2016 at 5:14 PM, Vlad Cojocaru
<vlad.cojocaru.mpi-muenster.mpg.de> wrote:
> Dear all,
>
> I am trying to run a "drmsd" to reference analysis in cpptraj. The atoms
> selected in the trajectory and the reference need to be defined by 2
> distinct masks (mask and refmask).
>
> Therefore I used the command: "drmsd [name] [mask] [refmask] out
> [filename] reference".
>
> Awkwardly, the program exits with error "Setup failed for drmsd;
> Detected divide by 0".
>
> Looking in the output file, I noticed that it states that the mask
> defined for the reference is "mask" and not "refmask" as it should. The
> program apparently fails to read the "refmask" I provide under the drmsd
> command. Importantly, the "rmsd" command runs correctly in the same
> conditions (same syntax).
>
> Is this a bug ?
>
> Best wishes
> Vlad
>
>
> --
> Dr. Vlad Cojocaru
> Computational Structural Biology Laboratory
> Department of Cell and Developmental Biology
> Max Planck Institute for Molecular Biomedicine
> 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/43241/cojocaru
>
>
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Oct 05 2016 - 06:00:04 PDT
