[gmx-developers] gromacs file formats

David spoel at xray.bmc.uu.se
Tue Nov 30 21:42:38 CET 2004

On Tue, 2004-11-30 at 13:54 -0500, David Richardson wrote:
> Are the file formats that gromacs used for .trj and .top files 
> documented anywhere other than the code?  I have some output files from 
> a MD program I wrote, and I'd like to be able convert the output to a 
> format the gromacs analysis tools can use.
If you can read your own files from a (small) piece of C code it should
be quite easy to incorporate that in e.g. trjconv. Alternatively you can
convert your files to the (lengthy) .g87 format (which incidentally is
the same as AMBER ascii format).
> Thanks,
> Dave
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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