Simpatico
v1.10
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The MultiHarmonicDihedral interaction implements a potential that can be expressed as a Fourier expansion of the dihedral angle defined in Dihedral Interactions. The energy is given by
The parameter file format is a set of rows, in which each row contains a dihedral type index followed by values of K0, ..., K4 for a particular dihedral type. The format is thus
The first integer in each line is a type index. Different dihedral types must appear in order sequential order 0, 1, 2, etc.