* CHARMM FORCE FIELD GENERATED BY fftool * ATOMS MASS 1 MoS 95.9370 MASS 2 SMo 32.0640 BONDS MoS SMo 51.422084 2.410000 ANGLES SMo MoS SMo 141.933556 83.800000 MoS SMo MoS 244.980880 83.800000 DIHEDRALS NONBONDED !VLJ = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] !epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) !Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j !atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4 MoS 0.000000 -0.115918 2.486253 0.000000 -0.057959 2.486253 SMo 0.000000 -0.498327 1.874512 0.000000 -0.249163 1.874512 END