[gmx-developers] Manual typo

Shirts, Michael R. (mrs5pt) mrs5pt at eservices.virginia.edu
Thu Aug 6 22:55:31 CEST 2015

Also filed to redmine (1796).

In Table 5.5, it lists:

Restricted dihedral as being type 11
Combined bending-torsion potential as Type 10

But it looks like it's the reverse when actually running the code, i.e.
using dihedral type 10 gives:

Incorrect number of parameters - found 5, expected 2 or 4 for Restricted

Restricted dihedral = type 10
Combined bending-torsion == Type 11

This would also be consistent with the ordering in the table as well.

This error is in:

And earlier versions as well (at least back to 5.0.4)

Michael Shirts
Associate Professor
Department of Chemical Engineering
University of Virginia
michael.shirts at virginia.edu
(434) 243-1821

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