Add tip4pew parameters to oplsaa.ff
commita70adfffb49af65e4d63e5abf95177bd0b128b98
authorJames Barnett <jbarnet4@tulane.edu>
Wed, 14 Jan 2015 15:50:44 +0000 (14 09:50 -0600)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 19 Jan 2015 16:33:11 +0000 (19 17:33 +0100)
tree5e65bbf9dc5db211f9bc31b5e9544bd62812b490
parent0cb539272e13bf71f6b99551fc8585243f2d587f
Add tip4pew parameters to oplsaa.ff

The parameters come from:
Horn et al. (2004). J. Chem. Phys. 120, 9665-9678
http://dx.doi.org/10.1063/1.1683075

Change-Id: I634b54df422934b00378f27d068f1493e3690fa9
share/top/oplsaa.ff/atomtypes.atp
share/top/oplsaa.ff/ffnonbonded.itp
share/top/oplsaa.ff/tip4pew.itp [new file with mode: 0644]
share/top/oplsaa.ff/watermodels.dat