[gmx-users] Grompp not finding proper dihedral

John Doe helstreak at hotmail.com
Wed Jul 30 14:53:21 CEST 2014

I figured out the problem.

When I generate the topol.top file, it sets the dihedral function to '1', however, in the nonbonded parameters, the dihedral function is '3'.  Changing the the topol.top dihedral function to '3' fixes the problem.


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