Equilibration
 &cntrl
imin=0, irest=1, ntx=5,
ntt=3, temp0=300.0, gamma_ln=5.0,
ntp=1, taup=2.0, (pressure control) 
ntb=1, ntc=2, ntf=2,
nstlim=10,
ntwe=100, ntwx=1000, ntpr=200,
 &end