Comparing trunk/forceFields/Amber.frc (file contents):
Revision 1563 by gezelter, Wed May 18 19:27:54 2011 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC
| 984 |
|
O_TIP5P OW |
| 985 |
|
O_TIP5P-E OW |
| 986 |
|
O_SPCE OW |
| 987 |
< |
O_SPC OW |
| 987 |
> |
O_SPC OW |
| 988 |
> |
O_POL3 OW |
| 989 |
|
H_TIP3P HW |
| 990 |
|
H_TIP4P HW |
| 991 |
|
H_TIP4P-Ew HW |
| 992 |
|
H_TIP5P HW |
| 993 |
|
H_SPCE HW |
| 994 |
|
H_SPC HW |
| 995 |
+ |
H_POL3 HW |
| 996 |
|
EP_TIP4P EP |
| 997 |
|
EP_TIP4P-Ew EP |
| 998 |
|
EP_TIP5P EP |
| 1903 |
|
D3P-P 0.9000 |
| 1904 |
|
D3P-OP -0.8200 |
| 1905 |
|
TIP3P-O -0.834 |
| 1906 |
< |
TIP3P-H 0.417 |
| 1907 |
< |
O_TIP3P -0.834 |
| 1908 |
< |
O_SPCE -0.8476 |
| 1909 |
< |
O_SPC -0.82 |
| 1910 |
< |
H_TIP3P 0.417 |
| 1911 |
< |
H_TIP4P 0.520 |
| 1912 |
< |
H_TIP4P-Ew 0.52422 |
| 1913 |
< |
H_TIP5P 0.241 |
| 1914 |
< |
H_SPCE 0.4238 |
| 1915 |
< |
H_SPC 0.42 |
| 1916 |
< |
EP_TIP4P -1.040 |
| 1917 |
< |
EP_TIP4P-Ew -1.04844 |
| 1918 |
< |
EP_TIP5P -0.241 |
| 1906 |
> |
TIP3P-H 0.417 |
| 1907 |
> |
O_TIP3P -0.834 |
| 1908 |
> |
O_SPCE -0.8476 |
| 1909 |
> |
O_SPC -0.82 |
| 1910 |
> |
O_POL3 -0.7300 |
| 1911 |
> |
H_TIP3P 0.417 |
| 1912 |
> |
H_TIP4P 0.520 |
| 1913 |
> |
H_TIP4P-Ew 0.52422 |
| 1914 |
> |
H_TIP5P 0.241 |
| 1915 |
> |
H_SPCE 0.4238 |
| 1916 |
> |
H_SPC 0.42 |
| 1917 |
> |
H_POL3 0.3650 |
| 1918 |
> |
EP_TIP4P -1.040 |
| 1919 |
> |
EP_TIP4P-Ew -1.04844 |
| 1920 |
> |
EP_TIP5P -0.241 |
| 1921 |
|
Li+ 1.000 |
| 1922 |
|
Na+ 1.000 |
| 1923 |
|
K+ 1.000 |
| 1964 |
|
O_TIP5P-E 0.178 3.097 |
| 1965 |
|
O_SPCE 0.15532 3.16549 |
| 1966 |
|
O_SPC 0.15532 3.16549 |
| 1967 |
+ |
O_POL3 0.156 1.7980 |
| 1968 |
|
OH 0.210400 3.066473 |
| 1969 |
|
OS 0.170000 3.000012 |
| 1970 |
|
O 0.210000 2.959922 |
Diff Legend
| – |
Removed lines |
| + |
Added lines |
| < |
Changed lines |
| > |
Changed lines |
