eq5 temp = 300, k = 0
&cntrl
 nstlim = 10000, dt = 0.002,
 ntx = 7, irest = 1,
 ntpr = 500, ntwr = 500, ntwx =500,
 tempi = 300., temp0 = 300.,
 ntt = 1,
 ntb = 2, ntp = 1,
 ntc = 2, ntf = 2,
&end