configMD.cfg

conversionFactors =
{
    sigma = 1.0;
    eps   = 1.0;
    m     = 1.0;
    T     = 119.74;
};


ensembleParameters =
{
    nSpecies = 2;

    sigmas = (1.0, 0.25);
    epses  = (1.0, 1.0);
    masses = (1.0, 1.0);

};

mainThermostat =
{
     bathTemperature = 1.0;
     tauOverDt = 15.0;
};

solver =
{

    dt = 0.001;
    N = 10000;

    therm = 1000;

    tightness = 0.9;
    initialDelta = 1.0;

    outputPath = "/home/jorgen/tmp";

};

Events =
{
    Compression:
    {
        timeMinusTherm = 0;
        length = 500;
        delta = 1.0;
    };

    Thermostats:
    {

        temperatureScaleFactorWarm = 8.0;
        temperatureScaleFactorCold = 2.0;
        widthFactor = 0.15;

    };

    Expansion:
    {
        timeMinusCompressionTime = 200;
        lengthOverCompressionLength = 500;
        delta = 1.0;
    };

};


DCViz =
{
    delay = 0.0; #s
};