gromacs-data 4.5.5-2 / usr / share / gromacs / top / oplsaa.ff / ions.itp

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;
; See literature references in forcefield.itp and atomtypes.atp
;

[ moleculetype ]
; molname   nrexcl
CU          1

[ atoms ]
; id    at type res nr  residu name at name  cg nr  charge   mass
1       Cu2+    1       CU          CU       1      2        63.54600

[ moleculetype ]
; molname   nrexcl
ZN          1

[ atoms ]
; id    at type res nr  residu name at name  cg nr  charge   mass
1       Zn2+    1       ZN          ZN       1      2        65.37000

[ moleculetype ]
; molname   nrexcl
MG          1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_411    1       MG          MG       1      2        24.30500

[ moleculetype ]
; molname   nrexcl
CA          1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_412    1       CA          CA       1      2        40.08000

[ moleculetype ]
; molname   nrexcl
LI          1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_406    1       LI          LI       1      1        6.941

[ moleculetype ]
; molname   nrexcl
NA          1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_407    1       NA          NA       1      1        22.98977     

[ moleculetype ]
; molname   nrexcl
K           1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_408    1       K           K        1      1        39.0983

[ moleculetype ]
; molname   nrexcl
RB          1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_409    1       RB          RB       1      1        85.4678

[ moleculetype ]
; molname   nrexcl
CS          1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_410    1       CS          CS       1      1        132.9054

[ moleculetype ]
; molname   nrexcl
F           1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_400    1       F           F        1      -1       18.9984

[ moleculetype ]
; molname   nrexcl
CL      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_401    1       CL          CL       1      -1       35.45300

[ moleculetype ]
; molname   nrexcl
BR          1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_402    1       BR          BR       1      -1       79.904

[ moleculetype ]
; molname   nrexcl
I           1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   mass
1       opls_403    1       I           I        1      -1       126.9045

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