cyclohexane

*Main Gro Parser Top Utils T Control.Monad> readTopology "../cyclohexane-pars" ".."
atomsCount = 18
flattenAtoms = [-0.26,-1.5e-2,-6.0e-3,-0.159,2.3e-2,-3.1e-2,-0.166,5.9e-2,-0.135,-5.7e-2,-9.1e-2,-2.2e-2,-8.9e-2,-0.164,5.5e-2,-5.6e-2,-0.146,-0.117,8.3e-2,-4.1e-2,1.2e-2,9.8e-2,-4.1e-2,0.121,0.159,-0.11,-2.9e-2,0.106,0.1,-4.2e-2,0.211,0.13,-2.5e-2,9.3e-2,9.9e-2,-0.152,1.2e-2,0.201,2.2e-2,5.9e-2,0.246,0.112,-5.0e-3,0.285,-4.8e-2,-0.122,0.138,6.1e-2,-0.118,0.102,0.166,-0.201,0.215,5.8e-2]
bondsCount = 18
flattenBondsIndx = [1,0,2,1,3,1,4,3,5,3,6,3,7,6,8,6,9,6,10,9,11,9,12,9,13,12,14,12,15,1,16,15,17,15,15,12]
krs = [142256.0,142256.0,112131.2,142256.0,142256.0,112131.2,142256.0,142256.0,112131.2,142256.0,142256.0,112131.2,142256.0,142256.0,112131.2,142256.0,142256.0,112131.2]
r0s = [0.109,0.109,0.1529,0.109,0.109,0.1529,0.109,0.109,0.1529,0.109,0.109,0.1529,0.109,0.109,0.1529,0.109,0.109,0.1529]
anglesCount = 36
flattenAnglesIdxs = [0,1,2,0,1,3,1,3,4,1,3,5,1,3,6,3,6,7,3,6,8,3,6,9,6,9,10,6,9,11,6,9,12,9,12,13,9,12,14,0,1,15,1,15,16,1,15,17,1,15,12,4,3,5,4,3,6,7,6,9,5,3,6,8,6,9,13,12,14,11,9,12,7,6,8,12,15,17,14,12,15,2,1,15,9,12,15,2,1,3,12,15,16,10,9,12,13,12,15,3,1,15,10,9,11,16,15,17]
kts = [138.072,156.9,156.9,156.9,244.1365,156.9,156.9,244.1365,156.9,156.9,244.1365,156.9,156.9,156.9,156.9,156.9,244.1365,138.072,156.9,156.9,156.9,156.9,138.072,156.9,138.072,156.9,156.9,156.9,244.1365,156.9,156.9,156.9,156.9,244.1365,138.072,138.072]
thetas = [1.8814649336498872,1.932079481957723,1.932079481957723,1.932079481957723,1.9669860669976094,1.932079481957723,1.932079481957723,1.9669860669976094,1.932079481957723,1.932079481957723,1.9669860669976094,1.932079481957723,1.932079481957723,1.932079481957723,1.932079481957723,1.932079481957723,1.9669860669976094,1.8814649336498872,1.932079481957723,1.932079481957723,1.932079481957723,1.932079481957723,1.8814649336498872,1.932079481957723,1.8814649336498872,1.932079481957723,1.932079481957723,1.932079481957723,1.9669860669976094,1.932079481957723,1.932079481957723,1.932079481957723,1.932079481957723,1.9669860669976094,1.8814649336498872,1.8814649336498872]
torsionsCount = 54
flattenTorsionsIdxs = [15,1,3,6,9,12,15,1,12,15,1,3,12,9,6,3,15,12,9,6,9,6,3,1,12,9,6,8,6,3,1,2,15,12,9,11,15,1,3,4,6,3,1,0,9,6,3,5,12,15,1,0,15,12,9,10,12,15,1,2,15,1,3,5,9,6,3,4,12,9,6,7,11,9,6,3,17,15,1,3,13,12,15,1,7,6,3,1,8,6,3,1,10,9,6,3,16,15,1,3,13,12,9,6,14,12,9,6,17,15,12,9,14,12,15,1,16,15,12,9,16,15,12,14,4,3,1,0,7,6,3,4,5,3,1,2,8,6,3,5,8,6,3,4,5,3,1,0,16,15,12,13,11,9,6,7,17,15,1,2,13,12,9,10,14,12,9,10,4,3,1,2,10,9,6,8,14,12,9,11,17,15,12,13,10,9,6,7,11,9,6,8,17,15,1,0,7,6,3,5,16,15,1,0,16,15,1,2,13,12,9,11,17,15,12,14]
v1s = [-2.92875,-2.92875,-2.92875,-2.92875,-2.92875,-2.92875,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628,-0.628]
v2s = [1.569,1.569,1.569,1.569,1.569,1.569,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999,0.3134999999999999]
v3s = [-0.20925,-0.20925,-0.20925,-0.20925,-0.20925,-0.20925,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0,-0.0]
v4s = [0.20925,0.20925,0.20925,0.20925,0.20925,0.20925,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375,0.31375]
pairs14 = [(0,4),(0,5),(2,4),(0,6),(2,5),(2,6),(1,7),(1,8),(1,9),(4,7),(5,7),(4,8),(0,12),(5,8),(4,9),(3,10),(5,9),(3,11),(2,12),(1,13),(3,12),(1,14),(0,16),(7,10),(0,17),(8,10),(7,11),(2,16),(8,11),(7,12),(6,13),(4,15),(3,16),(2,17),(8,12),(6,14),(5,15),(3,17),(6,15),(10,13),(11,13),(10,14),(11,14),(10,15),(9,16),(11,15),(9,17),(13,16),(14,16),(13,17),(14,17)]
charges = [Sections:
["AtomTypes","AtomTypes","MoleculeType","Atoms","Bonds","Angles","Dihedrals","Dihedrals","Pairs","Molecules"]
0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0]
sigmas = [0.25,0.35,0.25,0.35,0.25,0.25,0.35,0.25,0.25,0.35,0.25,0.25,0.35,0.25,0.25,0.35,0.25,0.25]
epsilons = [0.12552,0.276144,0.12552,0.276144,0.12552,0.12552,0.276144,0.12552,0.12552,0.276144,0.12552,0.12552,0.276144,0.12552,0.12552,0.276144,0.12552,0.12552]
box = [1.0,1.0,1.0]
masses = [1.008,12.011,1.008,12.011,1.008,1.008,12.011,1.008,1.008,12.011,1.008,1.008,12.011,1.008,1.008,12.011,1.008,1.008]
velocities = [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0]