[gmx-users] trr file format
dommert at fias.uni-frankfurt.de
Sun Sep 7 13:24:55 CEST 2008
On 06.09.2008, at 22:28, Vitaly Chaban wrote:
> Where can I read about the exact format of the TRR and XTC files. I
> mean the width and type of every field in the binary trajectory file.
> I see read_'next_frame(status,&fr)' function in 'template.c'. But
> where is this fuction defined?
> Sorry, I'm not an expert in C. :(
if you have problems, finding appropiate header files for the
functions of gmx, you can perhaps use a development environment like
Eclipse, Source-Navigator, KDevelop, Anjuta depending on your flavour
and operating system.
This programs index all the functions in a specified project and you
can look up their definitions by request without searching the files
of the complete src-code.
It is hard to rank the different programs due to their various
capabilities and your requirements.
Eclipse Ganymed is a special C/C++ Development environment and
accesible for every OS. Furthermore it is modular and you can also
advance it to a MATLAB-like enviroment including the PyDev module and
using python modules like numpy and scipy. It is also capable of
accesing CVS trees directly. In my opinion this program package is
flexible and helpful. Once everything is installed and configured it
can be handled very easily.
The other mentioned packages are Red-Hat, KDE, and GNOME development
environments. However as I mentioned at the end it is a question of
> Vitaly V. Chaban
> School of Chemistry
> National University of Kharkiv
> Svoboda sq.,4, Kharkiv 61077, Ukraine
> email: chaban at univer.kharkov.ua
> skype: vvchaban
> gmx-users mailing list gmx-users at gromacs.org
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EMail: dommert at fias.uni-frankfurt.de
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