[gmx-users] g_traj -ox -com slight inconsistency
chris.neale at utoronto.ca
Mon May 2 18:11:57 CEST 2011
I have noticed an inconsistency with g_traj -ox -com output when using
-f a.gro and either -s a.gro or -s a.tpr where a.tpr was constructed
There does not appear to be any difference when not using the -com flag.
The difference is on the order of <=0.008 nm so I suppose that it could
be related to rounding and order of operations or precision.
The same results exist for at least 4.0.5 and 4.5.3.
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