# FEASST particle file (https://doi.org/10.18434/M3S095)
# TraPPE http://trappe.oit.umn.edu/
#
#           CH3(1)
#            |
#           CH(0)
#         /     \
#       CH3(2)   CH3(3)
#
#
# Units
#
# length Angstrom
# energy kJ/mol
# charge elementary

Site Properties

CH sigma=4.68 epsilon=0.0831446261815324 cutoff=14.0 charge=0.0
CH3 sigma=3.75 epsilon=0.8148173365790174 cutoff=14.0 charge=0.0

Sites

0 CH 0.00 0.00 0.00
1 CH3 1.54 0.00 0.00
2 CH3 0.00 1.54 0.00
3 CH3 0.00 0.00 1.54

Bond Properties

CHCH3 RigidBond length=1.54 delta=0.0001

Bonds

0 CHCH3 0 1
1 CHCH3 0 2
2 CHCH3 0 3

Angle Properties

0 AngleHarmonic equilibrium_degrees=112 k_energy_per_radian_sq=259.82695681728876 num_jacobian_gaussian=1

Angles

0 0 1 0 2
1 0 1 0 3
2 0 2 0 3
