From: saravana (
Date: Sun Mar 11 2007 - 18:52:30 CDT

Namd users

I have a protein with  most probable gasphase charge state +7 was
found through spectrometry results, i need the charge configuration with
lowest energy state particularly for my protein which residue sequence or
titrable group would contribute the protonation state of +7.
Is there any option to calculate the lowest energy state of protein (+7) from
different conformations states.

thank you

** Visit for more info on majordomo