Added tip5pe water model to oplsa.
authorRossen Apostolov <rossen@kth.se>
Tue, 10 Jun 2014 08:10:25 +0000 (10:10 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sat, 14 Jun 2014 04:30:48 +0000 (06:30 +0200)
commit8103e94ff7bb2df7647859c96ea2e65467460c0b
tree2c0424d3124e4d4778382118a4e4a0d4bb48fcec
parent863a67fea941c0e611fcf0f105f7c1b8ec909464
Added tip5pe water model to oplsa.

The model introduces a small modification to the tip5p model
to reproduce better experimental data for simulations using
Ewald summation.

Reference publication J. Chem. Phys. 120 (2004) 6085-6093.

Fixes #1016.

Change-Id: I1afba614d65d1e4e8eb8594e99eea41e31f1e391
share/top/oplsaa.ff/ffnonbonded.itp
share/top/oplsaa.ff/tip5pe.itp [new file with mode: 0644]
share/top/oplsaa.ff/watermodels.dat