md input
 &cntrl
        imin = 0, nstlim = 10, dt = 0.001,
        ntx = 1, tempi = 0.0, temp0=300.0 ,
        ntt = 0, tol = 0.000001, saltcon = 0.0,
        ntc = 2, ntf = 1, ntb = 0, 
        ntwx =  1, ntwe = 0, ntwr = 1, ntpr = 1,
        cut = 99.0, rgbmax=100.,
        ntr = 0, tautp = 0.1, offset = 0.09,
        nscm = 500, igb = 5, 

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