steered molecular dynamics &cntrl imin=0, irest=1, ntx=5, nstlim=500000, dt=0.002, ntc=2, ntf=2, cut=10.0, ntb=2, ntp=1, taup=2.0, ntpr=1000, ntwx=1000, ntwr=50000, ntt=3, gamma_ln=2.0, temp0=300.0, jar=1, / &wt TYPE='DUMPFREQ', istep1=1, / &wt TYPE='END', / DISANG=dist.RST DUMPAVE=dist_vs_t LISTIN=POUT LISTOUT=POUT