PIMD TI wrt mass simulation

&cntrl
   ntx = 1, ! Read in formatted coords, no vels.

   ntb = 0   ! No periodic box.
   cut = 1000.0,   ! Nonbonded cutoff.
   dt = 0.001, ! Time step in MD.
   nstlim=5,   ! Number of MD steps to be performed. 
   ! nscm = 1000 ! Default=1000, for NM PIMD should be larger than nstlim. 

   ipimd=1,   ! Do primitive PIMD
   ! ipimd=2,   ! Do normal-mode PIMD.

   itimass=1,   ! Thermodynamic integr. w.r.t. mass, virial estimator.
   ! itimass=2, ! Thermodynamic integr. w.r.t. mass, thermodynamic estimator.
   clambda=0.50,    ! Value of lambda in TI.

   temp0 = 478.45,   ! Reference temperature.
   tempi = 478.45,   ! Initial temperature.
   ntt = 3, ! Langevin dynamics.
   gamma_ln = 20.0, ! Collision frequency for Langevin dynamics.
   ! ntt = 4, ! Nose-Hoover chain.
   ! nchain = 4, 

   ntpr = 1, ! How often to print energy.
   ntwx = 0, ! How often to write coordinates.
/
