gmx spatial add ability to perform over multiple reference structures
In version 4.0.7, I think it was, there was the ability to generate SDFs over multiple molecules / reference structures using g_sdf.
Now can only have a single reference structure. Imagine being only to generate a RDF between a single reference atom and the other group of atoms of interest. Being limited to a single reference structure severely limits it's utility.
Would be great if this functionality was able to be added back.