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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Received on Tue Oct 04 2016 - 14:30:03 PDT
