[gmx-users] Coordinate file does not match topology

[Justin Lemkul]

Quoting Sheyore Omovie <omovie_johnnie at hotmail.com>:

> But this is my first real simulation, So I'll appreciate it if you can tell
> me how to determine the number of ions to add with genion.

Assuming you started from a .pdb file of your protein, pdb2gmx prints this
information out when you generated your topol.top and output .gro file.

-Justin

Justin A. Lemkul
Department of Biochemistry
Virginia Tech