| 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 |
|
|