Closed MTLehner closed 2 years ago
@katzberger please add an example of the bug for testing purpose
@katzberger @candidechamp The wrong (automatic) override of adapt_imd_automatically=True was in the imd setter. I made adapt_imd_automatically a parameter of gromos_system. This means if adapt_imd_automatically is set to False in the initializer or self.adapt_imd_automatically=False is set later adding a imd won't automatically call adapt_imd
Adapt Imd is a feature that should make some basic sanity checks, however it should always be able to turn it off. Gromos_system offers this feature, but it is not past along in some cases (for example to simulations systems) In some of these cases it can lead to a undesired change of the imd files.
TODO: