Hello, teachers. When I followed the protein-ligand biological system QM/MM on the CP2K official website, I found that a MOLNAME MOL4 was defined in the &CONSTRAINT section of the npt.inp file. However, I did not find the relevant name in the topol file. I would like to ask where the molecular name of this MOL4 comes from？ -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/970e2442-db98-44a0-82b9-7b8f131adcb3n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/970e2442-db98-44a0-82b9-7b8f131adcb3n%40googlegroups.com</a>.