[gmx-users] Coordinate file does not match topology

Justin Lemkul jalemkul at vt.edu
Sun Jun 10 02:55:56 CEST 2007

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 A. Lemkul
Department of Biochemistry
Virginia Tech

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