/
ions.itp
88 lines (60 loc) · 2.11 KB
/
ions.itp
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[ moleculetype ]
; molname nrexcl
IB+ 1 ; big positive ion
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 IB 1 IB+ IB 1 1.00000
[ moleculetype ]
; molname nrexcl
CA 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 C0 1 CA CA 1 2.00000
[ moleculetype ]
; molname nrexcl
CL 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 Cl 1 CL CL 1 -1.00000
[ moleculetype ]
; molname nrexcl
NA 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 Na 1 NA NA 1 1.00000
[ moleculetype ]
; molname nrexcl
MG 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 MG 1 MG MG 1 2.00000
[ moleculetype ]
; molname nrexcl
K 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 K 1 K K 1 1.00000
[ moleculetype ]
; molname nrexcl
RB 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 Rb 1 RB RB 1 1.00000
[ moleculetype ]
; molname nrexcl
CS 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 Cs 1 CS CS 1 1.00000
[ moleculetype ]
; molname nrexcl
LI 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 Li 1 LI LI 1 1.00000
[ moleculetype ]
; molname nrexcl
ZN 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 Zn 1 ZN ZN 1 2.00000