[gmx-users] How the topology file is created based on *.gro file?

Dawid das addiw7 at googlemail.com
Wed Feb 3 10:11:07 CET 2016

Dear Gromacs Experts,

Let's assume that I have a *.gro file in a proper format but the number of
atoms and/or
residues is let's say random, e.g. I have coordinates of atoms for residue
87, 95, 96, 88.
What is more, I have let's say 76 atoms in the system, but I start
numbering from 999.
Will I be able to produce proper *.top file if the definition of atoms and
their parameters
is correct?

Best wishes,
Dawid Grabarek

More information about the gromacs.org_gmx-users mailing list