calentamiento 100 --> 300 k = 20
&cntrl
 nstlim = 10000, dt = 0.002,
 ntx = 1, irest = 0,
 ntpr = 500, ntwr = 500, ntwx = 500,
 tempi = 100.0, temp0 = 300.0,
 ntt = 1, 
 ntb = 2, ntp = 1,
 ntc = 2, ntf = 2,
 ntr = 1,
 restraint_wt = 20.0, restraintmask = "@CA"
&end