[question] does it automatically protonates molecules for a given pH? - Githubissues

alanwilter / acpype

OFFICIAL: AnteChamber PYthon Parser interfacE

https://alanwilter.github.io/acpype/

GNU General Public License v3.0

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[question] does it automatically protonates molecules for a given pH? #95

Closed UnixJunkie closed 1 year ago

alanwilter commented 1 year ago

No