Diffusion lammps (lammm-master-deprecated) Browse

lammps/examples/USER/fep/CH4hyd/mols/methane.zmat
69c06791a580lammm-master-deprecated

methane.zmat
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			methane

			1 C4H
			2 H 1 1.09
			3 H 1 1.09 2 109.5
			4 H 1 1.09 2 109.5 3 120.0
			5 H 1 1.09 2 109.5 3 -120.0

			oplsaa.ff