MD
 &cntrl
   imin = 0, nstlim = 20, dt = 0.002,
   ntx = 1, tempi=10., temp0=300., temp0les=100.,
   ntt = 1, tol = 0.000001, tautp=0.9,
   ntc = 2, ntf = 1, ntb = 0,
   ntwx = 100, ntwe = 0, ntwr = 5000, ntpr = 100, 
   cut = 9.0, 
 /

