share/top/gmx.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 [ impropers ]
  12 C       O1      O2      CA
  13
  14 [ COOH ]
  15 [ replace ]
  16 C       C       C       12.011  0.53
  17 O       O       OA      15.9994 -0.548
  18 OXT     OT      O       15.9994 -0.38
  19 [ add ]
  20 1       2       OT      C       CA      N
  21         O       15.9994 -0.38
  22 1       2       HO      O       C       CA
  23         HO      1.008   0.398
  24