gromacs_ash.itp

[ atoms ]
; nr    type    resnr   residu  atom    cgnr    charge  mass
  2845          N    190      ASH      N   2845    -0.415700    14.0100   ; qtot  0.584
  2846          H    190      ASH      H   2846     0.271900     1.0080   ; qtot  0.856
  2847         CX    190      ASH     CA   2847     0.034100    12.0100   ; qtot  0.890
  2848         H1    190      ASH     HA   2848     0.086400     1.0080   ; qtot  0.977
  2849         2C    190      ASH     CB   2849    -0.031600    12.0100   ; qtot  0.945
  2850         HC    190      ASH    HB2   2850     0.048800     1.0080   ; qtot  0.994
  2851         HC    190      ASH    HB3   2851     0.048800     1.0080   ; qtot  1.043
  2852          C    190      ASH     CG   2852     0.646200    12.0100   ; qtot  1.689
  2853          O    190      ASH    OD1   2853    -0.555400    16.0000   ; qtot  1.134
  2854         OH    190      ASH    OD2   2854    -0.637600    16.0000   ; qtot  0.496
  2855         HO    190      ASH    HD2   2855     0.474700     1.0080   ; qtot  0.971
  2856          C    190      ASH      C   2856     0.597300    12.0100   ; qtot  1.568
  2857          O    190      ASH      O   2857    -0.567900    16.0000   ; qtot  1.000