1##################################################
2##                                              ##
3##  Keyfile for TIP5P Rigid 5-Site Water Model  ##
4##                                              ##
5##################################################
6
7parameters              NONE
8
9group-molecule
10
11vdwtype                 LENNARD-JONES
12radiusrule              GEOMETRIC
13radiustype              SIGMA
14radiussize              DIAMETER
15epsilonrule             GEOMETRIC
16dielectric              1.0
17
18atom             1    O    "TIP5P Water O"     8     15.995     4
19atom             2    H    "TIP5P Water H"     1      1.008     1
20atom             3    Lp   "TIP5P Water Lp"    0      0.000     1
21
22bond             1    2             500.0       0.9572
23bond             1    3             500.0       0.7000
24angle            2    1    2        100.0     104.5200
25angle            2    1    3        100.0     110.6948
26angle            3    1    3        100.0     109.4700
27
28vdw              1                  3.120       0.1600
29vdw              2                  0.000       0.0000
30vdw              3                  0.000       0.0000
31
32charge           1                  0.000
33charge           2                  0.241
34charge           3                 -0.241
35