marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
Apache License 2.0
95 stars 43 forks source link

fix pdb box #544

Closed fgrunewald closed 1 year ago

fgrunewald commented 1 year ago

@pckroon this stupid box directive has taken way too long. I've to apologize but sometimes this co-development of two packages drives me mad