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

   1 [ None ]
   2
   3 [ GLY-NH3+ ]
   4 [ replace ]
   5 N               opls_287        14.0027 -0.3
   6 CA              opls_292B       12.011  0.19
   7 [ add ]
   8 3       4       H       N       CA      C
   9         opls_290        1.008   0.33
  10 [ delete ]
  11 H
  12
  13 [ GLY-ZWITTERION_NH3+ ]
  14 [ replace ]
  15 N               opls_287        14.0027 -0.3
  16 CA              opls_298        12.011  0.09
  17 [ add ]
  18 3       4       H       N       CA      C
  19         opls_290        1.008   0.33
  20 [ delete ]
  21 H
  22
  23 [ PRO-NH2+ ]
  24 [ replace ]
  25 N               opls_309        14.0027 -0.2
  26 CA              opls_246        12.011  0.23
  27 CD              opls_296        12.011  0.17
  28 [ add ]
  29 2       4       H       N       CA      C
  30         opls_310        1.008   0.31
  31
  32 [ PRO-ZWITTERION_NH2+ ]
  33 [ replace ]
  34 N               opls_309        14.0027 -0.2
  35 CA              opls_246        12.011  0.13
  36 CD              opls_296        12.011  0.17
  37 [ add ]
  38 2       4       H       N       CA      C
  39         opls_310        1.008   0.31
  40
  41 [ NH3+ ]
  42 [ replace ]
  43 N               opls_287        14.0027 -0.3
  44 CA              opls_293B       12.011  0.25
  45 [ add ]
  46 3       4       H       N       CA      C
  47         opls_290        1.008   0.33
  48 [ delete ]
  49 H
  50
  51 [ ZWITTERION_NH3+ ]
  52 [ replace ]
  53 N               opls_287        14.0027 -0.3
  54 CA              opls_299        12.011  0.15
  55 [ add ]
  56 3       4       H       N       CA      C
  57         opls_290        1.008   0.33
  58 [ delete ]
  59 H
  60
  61 [ GLY-NH2 ]
  62 [ replace ]
  63 N               opls_900        14.0027 -0.9
  64 CA              opls_906B       12.011  0.06
  65 [ add ]
  66 2       4       H       N       CA      C
  67         opls_909        1.008   0.36
  68 [ delete ]
  69 H
  70
  71 [ PRO-NH ]
  72 [ replace ]
  73 N               opls_901        14.0027 -0.78
  74 CA              opls_246        12.011  0.14
  75 CD              opls_245        12.011  0.08
  76 [ add ]
  77 1       4       H       N       CA      C
  78         opls_910        1.008   0.38
  79
  80 [ NH2 ]
  81 [ replace ]
  82 N               opls_900        14.0027 -0.9
  83 CA              opls_912B       12.011  0.12
  84 [ add ]
  85 2       4       H       N       CA      C
  86         opls_909        1.008   0.36
  87 [ delete ]
  88 H
  89
  90 [ PGLU-NH ]
  91 [ replace ]
  92 CA              opls_246        12.011  0.14