/usr/share/gromacs/top/gmx.ff/decane.itp is in gromacs-data 4.5.5-2.
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 | [ moleculetype ]
; Name nrexcl
C10 3
[ atoms ]
; nr type resnr residu atom cgnr charge
1 CP3 1 C10 C1 1 0.0
2 CP2 1 C10 C2 2 0.0
3 CP2 1 C10 C3 3 0.0
4 CP2 1 C10 C4 4 0.0
5 CP2 1 C10 C5 5 0.0
6 CP2 1 C10 C6 6 0.0
7 CP2 1 C10 C7 7 0.0
8 CP2 1 C10 C8 8 0.0
9 CP2 1 C10 C9 9 0.0
10 CP3 1 C10 C10 10 0.0
[ bonds ]
; i j
1 2
2 3
3 4
4 5
5 6
6 7
7 8
8 9
9 10
[ angles ]
; i j k
1 2 3
2 3 4
3 4 5
4 5 6
5 6 7
6 7 8
7 8 9
8 9 10
[ dihedrals ]
; i j k l type
1 2 3 4 3
2 3 4 5 3
3 4 5 6 3
4 5 6 7 3
5 6 7 8 3
6 7 8 9 3
7 8 9 10 3
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