[gmx-developers] reading non-gromacs trajectory formats and adding of default extension

Roland Schulz roland at utk.edu
Thu Nov 26 13:36:53 CET 2009


I just commited the Gromacs support for the VMD molfile plugin API.

This allows all analysis tools to read all VMD supported trajectory formats
(e.g. DCD).
It requires a VMD binary compiled with the same architecture as GROMACS
(e.g. both 64bit).
It is by default compiled in in case dlopen is supported (thus for all mayor

It changes one earlier behavior (even if dlopen support is not compiled in):
The default extension is only added if the specified file does not exist.
e.g. if both the file file.dcd and test.dcd.xtc exist then g_rms -f test.dcd
reads file.dcd and not test.dcd.xtc.


ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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