[gmx-users] about amber "in" file format

[nanyu101]

Dear gmx-users,
   I have tried to create an Amber "in" file for my molecule.But I don't know the meaning of  the forth vertical data,would you please give me some advice?Thanks a lot. A part of "in" file was listed as follows:





   1  DUMM  DU    M    0  -1  -2     0.000     0.000     0.000   
   2  DUMM  DU    M    1   0  -1     1.000     0.000     0.000   
   3  DUMM  DU    M    2   1   0     1.000    90.000     0.000   
   4  O5'   OS    M    3   2   1     1.600   101.430   -98.890  
   5  C5'   CT    M    4   3   2     1.440   119.000   -39.220   
   6  H5'1  HC    E    5   4   3     1.090   109.500   -30.000   
   7  H5'2  HC    E    5   4   3     1.090   109.500    90.000   
   8  C4'   CT    M    5   4   3     1.520   110.000  -151.000   
   9  H4'   HC    E    8   5   4     1.090   109.500  -200.000   
  10  O1'   OS    S    8   5   4     1.460   108.860   -86.310  -
  11  C1'   CT    B   10   8   5     1.420   110.040   105.600   
  12  H1'   HC    E   11  10   8     1.090   109.500  -240.000   
  13  N9    N*    S   11  10   8     1.520   109.590  -127.700  -
  14  C8    CK    B   13  11  10     1.370   131.200    81.590   

  Thanks a lot.

Best wishes,
Xianhui Wu
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