Dear all,

i have relax structure of system containing few 26 atoms . Relaxed  structure(coordinate) were obtained from DFT studies. i took those xyz  coordinate and made a crystal with given lattice parameters.and run  sorption module for hydrogen as adsorbent. but if i select each atom and   assign force field then job failed comes on screen, while if i check  "calculate automatically" then it ran. May i know the reason for that?and what is difference inoutput of sorption module if one would use " Calculate automatically" and "manual assignment" of force field .?