Added tip5pe water model to oplsa.

[alexxy/gromacs.git] / share / top / oplsaa.ff / ffnonbonded.itp

diff --git a/share/top/oplsaa.ff/ffnonbonded.itp b/share/top/oplsaa.ff/ffnonbonded.itp
index cfc48092c01ca31daced31bf4de223009d47be0b..5d5f0bfaa49e01dcb356aabe46effa40058f7d5f 100644 (file)
--- a/share/top/oplsaa.ff/ffnonbonded.itp
+++ b/share/top/oplsaa.ff/ffnonbonded.itp
@@ -128,6 +128,7 @@
  opls_117   HW 1      1.00800     0.410       A    0.00000e+00  0.00000e+00
 #endif
  opls_118   OW 8     15.99940     0.000       A    3.12000e-01  6.69440e-01
+ opls_118e  OW  8     15.99940     0.000       A    3.09700e-01  7.44752e-01 ; J. Chem. Phys. 120 (2004) 6085-6093
  opls_119   HW 1      1.00800     0.000       A    0.00000e+00  0.00000e+00
  opls_120   OL 0      0.00000     0.000       D    0.00000e+00  0.00000e+00
  opls_122   CT 6     12.01100     0.248       A    3.80000e-01  2.09200e-01