# | 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 | end AtomTypes | |
51 | ||
52 | begin DirectionalAtomTypes | |
# | Line 89 | Line 91 | Kr 0.32590340268 3.83 | |
91 | Cl 0.344781953445 3.35 | |
92 | Ar 0.238068461226 3.41 | |
93 | Br 0.511111921764 3.54 | |
94 | < | Kr 0.32590340268 3.83 |
94 | > | Kr 0.32590340268 3.83 |
95 | > | Cl- 0.100 4.445 |
96 | > | Na+ 0.118 2.579 |
97 | end LennardJonesAtomTypes | |
98 | ||
99 | begin ChargeAtomTypes | |
# | Line 104 | Line 108 | Cl -1.0 | |
108 | H_SPC 0.42 | |
109 | EP_TIP4P -1.040 | |
110 | EP_TIP5P -0.241 | |
111 | < | Cl -1.0 |
111 | > | Cl- -1.0 |
112 | > | Na+ 1.0 |
113 | end ChargeAtomTypes | |
114 | ||
115 | begin MultipoleAtomTypes |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |