[gmx-developers] TPR parsing
David van der Spoel
spoel at xray.bmc.uu.se
Sat Mar 9 18:42:52 CET 2013
On 2013-03-09 18:16, Gunther Lukat wrote:
> well, this requires a working gromacs installation. (The final product
> should run without the need to install Gromacs.)
> However, I just started to take a deeper look into the Gromacs library.
Just FYI in gmx 4.6 the license has changed to LGPL which means it is
allowed to link in the *unmodified* library in closed source software.
Check the COPYING file.
> Thank you so far
> Dipl.-Inf. Gunther Lukat
> g.lukat at gmx.net <mailto:g.lukat at gmx.net>
> www.aplvoro.org <http://www.aplvoro.org>
> Am 09.03.2013 um 10:18 schrieb David van der Spoel <spoel at xray.bmc.uu.se
> <mailto:spoel at xray.bmc.uu.se>>:
>> Why don't you simply link to the gromacs library and call the
>> appropriate reading function?
>> Note that all floating point numbers are coded for portability using
>> the xdr libraries, so it will be close to impossible to read with
>> anything but the native code.
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
More information about the gromacs.org_gmx-developers