1################################################### 2## ## 3## Keyfile for TIP4P Rigid 4-Site Water Models ## 4## ## 5################################################### 6 7parameters NONE 8 9group-molecule 10 11vdwtype LENNARD-JONES 12radiusrule GEOMETRIC 13radiustype SIGMA 14radiussize DIAMETER 15epsilonrule GEOMETRIC 16dielectric 1.0000 17 18## Parameters for TIP4P 19 20atom 1 O "TIP4P Water O" 8 15.995 3 21atom 2 H "TIP4P Water H" 1 1.008 1 22atom 3 M "TIP4P Water M" 0 0.000 1 23bond 1 2 1000.0 0.9572 24bond 1 3 1000.0 0.1500 25angle 2 1 2 100.0 104.52 26angle 2 1 3 100.0 52.26 27vdw 1 3.153577943 0.155041667 28vdw 2 0.000 0.0000 29vdw 3 0.000 0.0000 30charge 1 0.000 31charge 2 0.520 32charge 3 -1.040 33 34## Parameters for TIP4P-Ew 35 36#atom 1 O "TIP4P-Ew O" 8 15.995 3 37#atom 2 H "TIP4P-Ew H" 1 1.008 1 38#atom 3 M "TIP4P-Ew M" 0 0.000 1 39#bond 1 2 1000.0 0.9572 40#bond 1 3 1000.0 0.1250 41#angle 2 1 2 100.0 104.52 42#angle 2 1 3 100.0 52.26 43#vdw 1 3.16435 0.162750 44#vdw 2 0.000 0.0000 45#vdw 3 0.000 0.0000 46#charge 1 0.000 47#charge 2 0.52422 48#charge 3 -1.04844 49