Comparing trunk/OOPSE-4/forceFields/Amber.99.frc (file contents):
Revision 3425 by gezelter, Tue Jul 1 13:29:02 2008 UTC vs.
Revision 3523 by gezelter, Tue Sep 8 19:12:52 2009 UTC
| 55 |
|
Ca+ 40.080 |
| 56 |
|
Zn+ 65.400 |
| 57 |
|
Cl- 35.450 |
| 58 |
+ |
EP 0.0 |
| 59 |
|
end BaseAtomTypes |
| 60 |
|
|
| 61 |
|
|
| 964 |
|
D3P-OP O2 |
| 965 |
|
TIP3P OW |
| 966 |
|
TIP3P HW |
| 967 |
+ |
O_TIP3P OW |
| 968 |
+ |
O_TIP4P OW |
| 969 |
+ |
O_TIP4P-Ew OW |
| 970 |
+ |
O_TIP5P OW |
| 971 |
+ |
O_TIP5P-E OW |
| 972 |
+ |
O_SPCE OW |
| 973 |
+ |
O_SPC OW |
| 974 |
+ |
H_TIP3P HW |
| 975 |
+ |
H_TIP4P HW |
| 976 |
+ |
H_TIP4P-Ew HW |
| 977 |
+ |
H_TIP5P HW |
| 978 |
+ |
H_SPCE HW |
| 979 |
+ |
H_SPC HW |
| 980 |
+ |
EP_TIP4P EP |
| 981 |
+ |
EP_TIP4P-Ew EP |
| 982 |
+ |
EP_TIP5P EP |
| 983 |
|
Li+ Li+ |
| 984 |
|
Na+ Na+ |
| 985 |
|
K+ K+ |
| 1897 |
|
D3P-OP -0.8200 |
| 1898 |
|
TIP3P -0.834 |
| 1899 |
|
TIP3P 0.417 |
| 1900 |
+ |
O_TIP3P -0.834 |
| 1901 |
+ |
O_SPCE -0.8476 |
| 1902 |
+ |
O_SPC -0.82 |
| 1903 |
+ |
H_TIP3P 0.417 |
| 1904 |
+ |
H_TIP4P 0.520 |
| 1905 |
+ |
H_TIP4P-Ew 0.52422 |
| 1906 |
+ |
H_TIP5P 0.241 |
| 1907 |
+ |
H_SPCE 0.4238 |
| 1908 |
+ |
H_SPC 0.42 |
| 1909 |
+ |
EP_TIP4P -1.040 |
| 1910 |
+ |
EP_TIP4P-Ew -1.04844 |
| 1911 |
+ |
EP_TIP5P -0.241 |
| 1912 |
|
Li+ 1.000 |
| 1913 |
|
Na+ 1.000 |
| 1914 |
|
K+ 1.000 |
Diff Legend
| – |
Removed lines |
| + |
Added lines |
| < |
Changed lines |
| > |
Changed lines |
