/usr/share/gromacs/top/encadv.ff/aminoacids.n.tdb is in gromacs-data 4.6.5-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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 | [ None ]
[ NH3+ ]
[ replace ]
N M3 14.0067 -0.91
[ add ]
3 4 H N CA C
HN 1.008 0.37
[ delete ]
H
[ dihedrals ]
H1 N CA C
[ impropers ]
H1 CA N H2 improper_X_X_M3_X
H1 CA N H3 improper_X_X_M3_X
[ NH2 ]
[ replace ]
N N2 14.0067 -0.666
[ add ]
2 4 H N CA C
HN 1.008 0.333
[ delete ]
H
[ dihedrals ]
H1 N CA C
[ impropers ]
H1 CA N H2 improper_X_X_M_X
[ PRO-NH2+ ]
[ replace ]
N N2 14.0067 -0.666
[ add ]
2 4 H N CA C
HN 1.008 0.333
[ dihedrals ]
H1 N CA C
[ impropers ]
H1 CA N H2 improper_X_X_M_X
[ PRO-NH ]
[ replace ]
N N1 14.0067 -0.333
[ add ]
1 4 H N CA C
HN 1.008 0.333
[ dihedrals ]
H1 N CA C
|