[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:
> Hi,
> 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

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