share/top/ffoplsaa-n.tst

   1 [ None ]
   2
   3 [ GLY-NH3+ ]
   4 [ replace ]
   5 N       N      opls_287   14.0027    -0.3000
   6 CA      CA     opls_292   12.0110     0.1900
   7 [ add ]
   8 3       4       N       CA      C
   9         H      opls_290    1.0080     0.3300
  10 [ delete ]
  11 H
  12
  13 [ PRO-NH2+ ]
  14 [ replace ]
  15 N       N      opls_309   14.0027    -0.2000
  16 CA      CA     opls_246   12.0110     0.2300
  17 CD      CD     opls_296   12.0110     0.1700
  18 [ add ]
  19 2       4       N       CA      C
  20         H      opls_310    1.0080     0.3100
  21
  22 [ NH3+ ]
  23 [ replace ]
  24 N       N      opls_287   14.0027    -0.3000
  25 CA      CA     opls_293   12.0110     0.2500
  26 [ add ]
  27 3       4       N       CA      C
  28         H      opls_290    1.0080     0.3300
  29 [ delete ]
  30 H
  31
  32
  33 [ GLY-NH2 ]
  34 [ replace ]
  35 N       N       opls_900    14.0027   -0.900
  36 CA      CA      opls_906    12.0110    0.060
  37 [ add ]
  38 2       4       N       CA      C
  39         H       opls_909     1.0080    0.360
  40 [ delete ]
  41 H
  42
  43 [ PRO-NH ]
  44 [ replace ]
  45 N       N      opls_238   14.0027  -0.500
  46 CA      CA     opls_246   12.0110   0.010
  47 CD      CD     opls_245   12.0110  -0.050
  48 [ add ]
  49 1       4       N       CA      C
  50         H      opls_909    1.0080   0.360
  51
  52 [ NH2 ]
  53 [ replace ]
  54 N       N      opls_900    14.0027   -0.900
  55 CA      CA     opls_912    12.0110    0.120
  56 [ add ]
  57 2       4       N       CA      C
  58         H      opls_909     1.0080    0.360
  59 [ delete ]
  60 H
  61
  62