Comparing trunk/OOPSE-4/forceFields/DUFF2.frc (file contents):
Revision 2247 by chrisfen, Sun May 29 21:14:38 2005 UTC vs.
Revision 2292 by chrisfen, Thu Sep 15 00:10:58 2005 UTC
46 |
|
Ne 20.1797 |
47 |
|
S 32.066 |
48 |
|
Cl 35.4527 |
49 |
+ |
Cl- 35.4527 |
50 |
+ |
Na+ 22.98977 |
51 |
|
Ar 39.948 |
52 |
|
Br 79.904 |
53 |
|
Kr 83.80 |
104 |
|
Ne 0.09339914589 2.72 |
105 |
|
S 0.36366050421 3.52 |
106 |
|
Cl 0.344781953445 3.35 |
107 |
+ |
Cl- 0.100 4.445 |
108 |
+ |
Na+ 0.118 2.579 |
109 |
|
Ar 0.238068461226 3.41 |
110 |
|
Br 0.511111921764 3.54 |
111 |
|
Kr 0.32590340268 3.83 |
127 |
|
EP_TIP4P-Ew -1.04844 |
128 |
|
EP_TIP5P -0.241 |
129 |
|
Cl -1.0 |
130 |
+ |
Cl- -1.0 |
131 |
+ |
Na+ 1.0 |
132 |
|
end ChargeAtomTypes |
133 |
|
|
134 |
|
begin MultipoleAtomTypes |
Diff Legend
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