alanwilter / acpype

OFFICIAL: AnteChamber PYthon Parser interfacE
https://alanwilter.github.io/acpype/
GNU General Public License v3.0
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Amber off/frcmod non standard residue to CHARMM RST file #124

Closed pguillem closed 1 month ago

pguillem commented 2 months ago

Hello all.

I was wondering if this tool would be suitable for converting a non-standard residue from Amber format to CHARMM format. If so, where could I check an example?

Thanks in advance Pedro

alanwilter commented 1 month ago

To be honest, I don't know. Have you try this question at Amber mailing list?