Open fgrunewald opened 2 years ago
It seems to me that #meta
tags are additive (unless the group is equal maybe?) This kind of behaviour is one of the reasons the file format and parser needs to be redone.
The problem seems to be that the #meta adds to interactions on the block level. I think splitting this into two dihedral blocks will solve the issue. It does make sense to have #metas apply on the block level in the force field definition, so I think this isn't a real problem, but it does require documentation. @fgrunewald please check and close this issue if this appears correct.
This could be the issue. But as long as it is neither documented nor changed, I'd leave the issue open. It also has already the parser tag which should make it easy to pull up once the parser is being redone.
This actually results in the error:
ValueError: An interaction cannot have both an "ifdef" and an "ifndef" meta attribute.
@pckroon any idea on this one?