[gmx-users] XTC format
spoel at xray.bmc.uu.se
Thu Jun 17 07:35:39 CEST 2004
On Thu, 2004-06-17 at 03:25, Stefano Piana wrote:
> I would like to analyze a BIG xtc file with a custom fortran program
> without converting it to ASCII format. Could anybody tell me which is
> the fortran equivalent of the binary format of the XTC file?
> I tried to guess it from the source code but I was not successful. Would
> it be easy to try to call directely the Gromacs routines that read the
> XTC format from my own code?
Bert de Groot has a library from his concoord ackage to read XTC files.
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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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