# | Line 44 | Line 44 | Kr 83.80 | |
---|---|---|
44 | Cl 35.4527 | |
45 | Ar 39.948 | |
46 | Br 79.904 | |
47 | < | Kr 83.80 |
47 | > | Kr 83.80 |
48 | > | Cl- 35.4527 |
49 | > | Na+ 22.9898 |
50 | > | Na 22.9898 |
51 | end AtomTypes | |
52 | ||
53 | begin DirectionalAtomTypes | |
# | Line 89 | Line 92 | Kr 0.32590340268 3.83 | |
92 | Cl 0.344781953445 3.35 | |
93 | Ar 0.238068461226 3.41 | |
94 | Br 0.511111921764 3.54 | |
95 | < | Kr 0.32590340268 3.83 |
95 | > | Kr 0.32590340268 3.83 |
96 | > | Cl- 0.1180 4.41724 |
97 | > | Na+ 0.002772 3.330445 |
98 | > | Na 0.002772 3.330445 |
99 | end LennardJonesAtomTypes | |
100 | ||
101 | begin ChargeAtomTypes | |
# | Line 104 | Line 110 | Cl -1.0 | |
110 | H_SPC 0.42 | |
111 | EP_TIP4P -1.040 | |
112 | EP_TIP5P -0.241 | |
113 | < | Cl -1.0 |
113 | > | Cl- -1.0 |
114 | > | Na+ 1.0 |
115 | end ChargeAtomTypes | |
116 | ||
117 | begin MultipoleAtomTypes |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |