cyt md
&cntrl
   imin=0, ntx=7, ntpr=1,
   nscm=5000, irest=1,
   ntf=1, ntc=2, tol=1d-7,
   ntb=2, ntp=1, taup=5.0,
   ntt=3, gamma_ln=2, temp0=298.0
   nstlim=50, t=0.0, dt=0.002,
   cut=9.0,
   iwrap=0,
   ifcr=1, crcut=3.0, crin='cr.in',
/

