share/top/gromos53a6.ff/aminoacids.c.tdb

   1 [ None ]
   2
   3 [ COO- ]
   4 [ replace ]
   5 C       C       C       12.011  0.27
   6 O       O1      OM      15.9994 -0.635
   7 OXT     O2      OM      15.9994 -0.635
   8 [ add ]
   9 2       8       O       C       CA      N
  10         OM      15.9994 -0.635
  11 [ bonds ]
  12 C       O1      gb_6
  13 C       O2      gb_6
  14 [ angles ]
  15 O1      C       O2      ga_38
  16 CA      C       O1      ga_22
  17 CA      C       O2      ga_22
  18 [ dihedrals ]
  19 N       CA      C       O2      gd_40
  20 [ impropers ]
  21 C       CA      O2      O1      gi_1
  22
  23 [ COOH ]
  24 [ replace ]
  25 C       C       C       12.011  0.33
  26 O       O       OA      15.9994 -0.288
  27 OXT     OT      O       15.9994 -0.45
  28 [ add ]
  29 1       2       OT      C       CA      N
  30         O       15.9994 -0.45
  31 1       2       HO      O       C       CA
  32         H       1.008   0.408
  33 [ bonds ]
  34 C       O       gb_13
  35 C       OT      gb_5
  36 O       HO      gb_1
  37 [ angles ]
  38 O       C       OT      ga_33
  39 C       O       HO      ga_12
  40 CA      C       O       ga_19
  41 CA      C       OT      ga_30
  42 [ dihedrals ]
  43 N       CA      C       O       gd_40
  44 CA      C       O       HO      gd_12
  45 [ impropers ]
  46 C       CA      OT      O       gi_1
  47