share/top/gmx.ff/aminoacids.n.tdb

   1 [ None ]
   2
   3 [ NH3+ ]
   4 [ replace ]
   5 N               NL      14.0067 0.129
   6 CA              CH1     13.019  0.127   0
   7 [ add ]
   8 3       4       H       N       CA      C
   9         H       1.008   0.248
  10 [ delete ]
  11 H
  12
  13 [ NH2 ]
  14 [ replace ]
  15 N               NL      14.0067 -0.83
  16 [ add ]
  17 2       4       H       N       CA      C
  18         H       1.008   0.415
  19 [ delete ]
  20 H
  21
  22 [ PRO-NH2+ ]
  23 [ replace ]
  24 N               NT      14.0067 0.2
  25 [ add ]
  26 2       4       H       N       CA      C
  27         H       1.008   0.4
  28
  29 [ PRO-NH ]
  30 [ replace ]
  31 N               N       14.0067 -0.28
  32 [ add ]
  33 1       4       H       N       CA      C
  34         H       1.008   0.28
  35
  36 [ GLY-NH3+ ]
  37 [ replace ]
  38 N               NL      14.0067 0.129
  39 CA              CH2     14.027  0.127   0
  40 [ add ]
  41 3       4       H       N       CA      C
  42         H       1.008   0.248
  43 [ delete ]
  44 H
  45