Dear All,
Doing a water/temp energy minimization just for a figure with a large molecule that has several connected parts, I ran into a bizzar question.
So I found its possible by accident to define improper dihedrails forwards and backwards without gromacs complaining, such as atom 1 2 3 4 and 4 3 2 1. My question is, if your topology has this, does it affect the calculations (angle energy or other)?
Stephan Watkins
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