/usr/share/gromacs/top/gromos43a2.ff/ions.itp is in gromacs-data 5.0.2-1.
This file is owned by root:root, with mode 0o644.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 | [ moleculetype ]
; molname nrexcl
CU1 1
[ atoms ]
; id at type res nr residu name at name cg nr charge mass
1 CU1+ 1 CU1 CU 1 1 63.54600
[ 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 MG2+ 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 CA2+ 1 CA CA 1 2 40.08000
[ moleculetype ]
; molname nrexcl
NA 1
[ atoms ]
; id at type res nr residu name at name cg nr charge mass
1 NA+ 1 NA NA 1 1 22.9898
[ moleculetype ]
; molname nrexcl
CL 1
[ atoms ]
; id at type res nr residu name at name cg nr charge mass
1 CL- 1 CL CL 1 -1 35.45300
|