From: Francesco Pietra (
Date: Fri Apr 02 2021 - 11:52:43 CDT

I am faced with the problem of establishing the protonation status of many
histidine residues present in a nucleic acid-protein ensemble, both inside
and on the periphery. All that in the framework of CHARMM36 for NAMD MD.

Servers for direct assignment, like H++, are useless because of the
presence of nucleic acids.

I came across two interesting old posts by Zhu and Henin to this concern
and wonder whether there is anything additionally useful for the above
*From:* Fangqiang Zhu (**
*Date:* Sat Nov 29 2003 - 00:22:03 CST
*From:* Jérôme Hénin (**
*Date:* Sat Nov 29 2003 - 04:37:30 CST
Thanks for advice
francesco pietra