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Task #2133

Updated by Mark Abraham over 3 years ago

gmx traj does too many things that conflict with each other.

The xvg written by -av and -ax does not describe the Y axis adequately.

The
implementations of things like -av and -cv are conflated to the point that you can't dump the average velocities of a group per frame to .xvg unless you provide a topology (because you need that for implementing -cv). Same for -af and -cf.

There should not be a distinct implementation of PBC handling in remove_jump.

The -vd option should probably not roll its own histogram implementation

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