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 |
|
|