Equilibrating the system for 200ps, in the NVT ensemble, up to 300K
 &cntrl
   imin=0,
   ntxo=1, ntrx=1,
   tempi=0,
   ntpr=1000, ntwx=1000, ntwe=1000,
   nstlim=200000, temp0=300.0,
   dt=0.001, nscm=100,nsnb=10,
   ntc=2, ntf=2, tol=0.00001, 
   ntx=1, irest=0, 
   ntb=1, ntp=0,
   scee=1.2, 
   ntt=1, ntr=1,
   nmropt=1,
 &end 
 &wt
 type='TEMP0', istep1=0, istep2=190000, value1=0, value2=300.0,
 &end
 &wt
 type='TEMP0', istep1=190000, istep2=200000, value1=300.0, value2=300.0,
 &end
 &wt
 type='END',
 &end
GROUP FOR CONSTRAINTS
 10.0 
RES 1 27
END 
END