file rprm name=(str1.prmtop) read file rcrd name=(str1.inpcrd) pack=2 read file wprm name=(neb.prmtop) wovr file wcrd name=(neb.inpcrd) wovr action ~ use original mass omas pimd ~ make 6 copies of atom 1 to 1260 (the whole system) space numc=6 pick #prt 1 1260 done *EOD