[gmx-developers] energy file 'edr' format?

Kaihsu Tai kaihsu at biop.ox.ac.uk
Thu Aug 18 17:59:07 CEST 2005

Dear Developers,

I am trying to devise a parsing module for the Gromacs
energy 'edr' file.

The documentation states that the 'edr' file is in the same
format as the 'xdr' file.  This makes sense, except that I
would expect a header containing the metadata about the
field (that is, 'column' in relational database jargon)
titles.  I cannot find any documentation on this part of the
'edr' file format, though.

Is there any documentation on this metadata-header section,
short of reading the source code?  If not, I suspect the
source code for 'gmxdump -e' and 'g_energy -f' would be
relevant, but would still appreciate some guidance on the
'edr' file format.


More information about the gromacs.org_gmx-developers mailing list