Development suggestion: Option to choose histidine tautomers/charge

[KasperBuskPedersen]

Hi

First of all, thank you for developing this amazing tool.

Would it be possible to implement an option to choose (either interactively or specifying in a file) histidine tautomers per histidine for the backmapped AA structure? I see that you already use pdb2gmx, so maybe it could be quite easily done using -ignh and -his? This will save some post-processing of the output and make the NVT quilibration more accurate

Maybe there is a clever way to do this using the -swap command, however the database doesn't seem to include histidine tautomer fragments

Thank you in advance Kasper