Unfortunately, parmed has still not released a new version which causes transformato to crash when using lonepairs with the version provided in conda-forge.
To avoid this I recreated the class with the bugfix described here: within transformato and called it CustomCharmmPsfFile which is now used instead of the original one (CharmmPsfFile)
Unfortunately, parmed has still not released a new version which causes transformato to crash when using lonepairs with the version provided in conda-forge. To avoid this I recreated the class with the bugfix described here: within transformato and called it CustomCharmmPsfFile which is now used instead of the original one (CharmmPsfFile)