Wesley Smith wrote:
Does anyone know if the bug in the g_order utility
(bugzilla #84) is specific to one type of hardware or
does it apply to anyone running gromacs 3.3.1.
I have been trying to get the program to calculate
deuterium order parameters, but I cannot seem to get
any output files other than the distance and angle
tetrahedrality parameters. I have tried setting up my
index file in various ways, but in every case, the
program runs without showing any errors yet will only
output sk-dist.xvg and sg-ang.xvg. Is this because of
an improperly set up index file, or a bug in the program?
this is the bug that has been fixed as described in bugzilla.
you need to apply the patch to your source code and recompile.
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