Diffusion lammps (lammm-devel) Browse

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

methane.zmat
View Options

			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