file rprm name=(open_neb.prmtop) read file rcrd name=(db_conf.inpcrd) pack=2 read file wprm name=(neb.prmtop) wovr file wcrd name=(neb.inpcrd) wovr action ~ use original mass omas pimd ~ make 30 copies of residue 1 to 548 (the whole system) space numc=30 pick #mon 1 548 done *EOD