# File format: # Pair1 Pair2 e1 e2 e3 e4 a1 a2 # NOTE: Pair1,Pair2 should match parameter file notation # # e1,e2 = Temperature dependence coefficients see * # NOTE: Always required. If adding coefficients for P dependence only, set e1,e2 = 0.0 placeholders # # e3,e4 = Pressure dependence coefficients see * # NOTE: Only required if P != 0.1 MPa # # a1,a2 = Cross coefficients see * # NOTE: Only required if T != 303K and P!=0.1 MPa # # *MZ.GRiffiths, W.Shinoda "tSPICA: Temperature- and Pressure-dependent Coarse-Grained Force Field for Organic Molecules", in preparation OA OA 0.065 0.0 EO OA -0.093 0.0 CM EO 0.07 0.0 CM OA -0.139 0.0 CT2 OA -0.139 0.0 OA W -0.07 -0.05 EO EO 0.105 0.0 EO CM 0.07 0.0 EO CT2 0.07 0.0 EO W -0.08 -0.049 CM CM -0.036 0.0 -3.6E-5 -7.4E-8 1.0005 1.0308 CM CT -0.036 0.0 -3.6E-5 -7.4E-8 1.0005 1.0308 CT CT -0.036 0.0 -3.6E-5 -7.4E-8 1.0005 1.0308 CT2 CM -0.036 0.0 -3.6E-5 -7.4E-8 1.0005 1.0308 W CM 0.29 -0.868 CT2 CT2 -0.036 0.0 -3.6E-5 -7.4E-8 1.0005 1.0308 W CT2 0.29 -0.868 W W 0.52 -1.4