Messages

Im trying to simulate the adsorption of c2h4 on mofs  using different models
only with TraPPe_UA2 i keep getting the error

Simulation finished,  1 warnings
WARNING: ENERGY DRIFT (INTERNAL CONSISTENCY ERROR IN THE CODE), THE SIMULATION RESULTS ARE WRONG!!

Here's my Model

# critical constants: Temperature [T], Pressure [Pa], and Acentric factor [-]
282.4
5032000.0
0.085
# Number Of Atoms
4
# Number Of Groups
1
# Alkane-group
Rigid
# number of atoms
4
# atomic positions
0 CH2_sp2 0.0   0.0  0.0
1 CH2_sp2 1.70  0.0  0.0
2 D       0.85  0.65 0.0
3 D       0.85 -0.65 0.0
# Chiral centers Bond  BondDipoles Bend  UrayBradley InvBend  Torsion Imp. Torsion Bond/Bond Stretch/Bend Bend/Bend Stretch/Torsion Bend/Torsion IntraVDW IntraCoulomb
               0    2            0    0            0       0        0            0         0            0         0               0            0        0            0
# Bond stretch: atom n1-n2, type, parameters
0 1 RIGID_BOND
2 3 RIGID_BOND
# Number of config moves
0

Anybody has any ideas ?