[gmx-developers] Trajectory reader functions

Victor Rühle ruehle at mpip-mainz.mpg.de
Mon Mar 1 11:44:44 CET 2010

Hi all,

we tried to make our package (votca.org) compatible with the newest 
gromacs development version, but are a bit puzzled using the new 
trajectory reader functions read_first_frame and read_next_frame.

You introduced a structure output_env which needs to be initialized, 
however we could not find a clean way to do this without using the 
gromacs command line parser. This we cannot do since we have our own 
command line parsing tools and the gmx functions should be used in a 
file format plugin.

Can you give any hints how to use these functions without the overhead 
of command line parsing?

Thanks in advance.


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