[fontsize=\small] NMType = 2 NameMType = MT1, MT2 NMolMType = 10, 10 LMoveMType = TRUE, T Box = 15.0, 15.0, 15.0 Epsilon = 1.0 TEMP=303. MCSteps = 5000000, MCStepsEquil = 2500000, MCStepAtom = 0.2, 0.2 MCStepTransMol = 1.0 MCStepRotMol = 0.2 iMCStepTransMol = 50 iMCStepRotMol = 50 iCalcEnergy = 100 RCutEl=0.7 AF = 2.6 FQ = 8.0 ProhibPotLevel=1000.0 RandomSeed=51 NMCAutoAdjust = 0 MCStepAtomAR = 0.5, 0.5 MCStepRotMolAR =0.5 MCStepRotMolAR =0.5 InvMode = IMC NPointsNB = 70 NIter=10 IAverage=50 REGP = 0.1, MaxPotCor=2.0 KeepStructure=False MaxRelDif=10.0 iPotCorCheck = 250000 VerboseLevel=5 InputRDF= MT1MT2.rdf InputStartCoords = start, 0 Output = 01.111.MT1MT2 DumpLastConf = .false. WriteTraj = 100000