Jon Kapla

Hi, yes I saw that a similar issue with the sodium ion topology was fixed after I posted here. Thanks! the docker image comes from the lpkagami/acpype:latest as mentioned in...

Hi, I'm not sure I'm allowed to share the topologies just yet, but I think it may be [this line](https://github.com/alanwilter/acpype/blob/ad9727c53234ae4266e9e453819459e7875a4c7f/acpype_lib/acpype.py#L4139) in acpype.py. I'm not adding solvent or setting any box...

It seems to be some kind of mismatch with the reference. I'm also just a user, but could it be that the reference and target structures are not of equal...