file rprm name=(spcfw.top) read file rcvb name=(spcfw.rst) read file wprm name=(spcfw_pimd.top) wovr file wcrd name=(spcfw_pimd.xyz) wovr action ~ use original mass omas pimd ~ make 4 copies of atom 1-648 ( the whole system ) space numc=4 pick #prt 1 648 done *EOD