| 51 | 
  | 
  fInfo.dielect = dielectric; | 
| 52 | 
  | 
 | 
| 53 | 
  | 
  fInfo.SIM_uses_PBC = usePBC; | 
| 54 | 
+ | 
  //fInfo.SIM_uses_LJ = 0; | 
| 55 | 
  | 
  fInfo.SIM_uses_LJ = useLJ; | 
| 56 | 
< | 
 | 
| 57 | 
< | 
  //fInfo.SIM_uses_sticky = useSticky; | 
| 57 | 
< | 
  fInfo.SIM_uses_sticky = 0; | 
| 56 | 
> | 
  fInfo.SIM_uses_sticky = useSticky; | 
| 57 | 
> | 
  //fInfo.SIM_uses_sticky = 0; | 
| 58 | 
  | 
  fInfo.SIM_uses_dipoles = useDipole; | 
| 59 | 
  | 
  //fInfo.SIM_uses_dipoles = 0; | 
| 60 | 
< | 
  fInfo.SIM_uses_RF = useReactionField; | 
| 60 | 
> | 
  //fInfo.SIM_uses_RF = useReactionField; | 
| 61 | 
> | 
  fInfo.SIM_uses_RF = 0; | 
| 62 | 
  | 
  fInfo.SIM_uses_GB = useGB; | 
| 63 | 
  | 
  fInfo.SIM_uses_EAM = useEAM; | 
| 64 | 
  | 
 |