MoS2.prm

* 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