[gmx-users] how to compute charged carried by a single residue

Amir Zeb zebamir85 at gmail.com
Tue Dec 20 11:12:32 CET 2016

Hello All,

I want to know the total charge carried by a specific residue during or
after simulation. Please let me know how may I do it? I don't know the
exact command line


More information about the gromacs.org_gmx-users mailing list