conf.gro

来自「最著名最快的分子模拟软件」· GRO 代码 · 共 63 行

"These Gromacs Guys Really Rock" (P.J. Meulenhoff)
   59
    1TYR      N    1   1.515   1.585   2.009
    1TYR     H1    2   1.416   1.597   2.009
    1TYR     H2    3   1.543   1.534   1.927
    1TYR     CA    4   1.579   1.715   2.009
    1TYR     HA    5   1.549   1.762   1.926
    1TYR     CB    6   1.535   1.793   2.133
    1TYR    HB1    7   1.472   1.737   2.186
    1TYR    HB2    8   1.615   1.815   2.188
    1TYR     CG    9   1.466   1.921   2.098
    1TYR    CD1   10   1.329   1.927   2.079
    1TYR    HD1   11   1.273   1.844   2.089
    1TYR    CD2   12   1.535   2.040   2.081
    1TYR    HD2   13   1.634   2.043   2.093
    1TYR    CE1   14   1.269   2.047   2.046
    1TYR    HE1   15   1.171   2.030   2.038
    1TYR    CE2   16   1.466   2.155   2.047
    1TYR    HE2   17   1.538   2.224   2.040
    1TYR     CZ   18   1.346   2.161   2.031
    1TYR     OH   19   1.300   2.255   2.005
    1TYR     HH   20   1.285   2.351   1.982
    1TYR      C   21   1.731   1.697   2.009
    1TYR      O   22   1.783   1.587   2.009
    2ALA      N   23   1.797   1.815   2.009
    2ALA      H   24   1.748   1.902   2.009
    2ALA     CA   25   1.943   1.810   2.009
    2ALA     HA   26   1.970   1.764   2.094
    2ALA     CB   27   1.988   1.733   1.885
    2ALA    HB1   28   2.088   1.728   1.883
    2ALA    HB2   29   1.950   1.640   1.888
    2ALA    HB3   30   1.955   1.780   1.803
    2ALA      C   31   2.005   1.950   2.009
    2ALA      O   32   1.936   2.051   2.009
    3SER      N   33   2.139   1.948   2.009
    3SER      H   34   2.171   1.853   2.009
    3SER     CA   35   2.208   2.075   2.009
    3SER     HA   36   2.180   2.123   1.926
    3SER     CB   37   2.168   2.154   2.133
    3SER    HB1   38   2.070   2.172   2.133
    3SER    HB2   39   2.193   2.105   2.216
    3SER     OG   40   2.234   2.278   2.136
    3SER     HG   41   2.264   2.369   2.165
    3SER      C   42   2.359   2.051   2.009
    3SER      O   43   2.407   1.939   2.009
    4THR      N   44   2.431   2.165   2.009
    4THR      H   45   2.369   2.244   2.009
    4THR     CA   46   2.575   2.154   2.009
    4THR     HA   47   2.599   2.104   2.092
    4THR     CB   48   2.621   2.079   1.884
    4THR     HB   49   2.584   1.986   1.889
    4THR    OG1   50   2.761   2.067   1.882
    4THR    HG1   51   2.854   2.044   1.854
    4THR    CG2   52   2.579   2.148   1.754
    4THR   HG21   53   2.612   2.095   1.676
    4THR   HG22   54   2.479   2.155   1.750
    4THR   HG23   55   2.619   2.240   1.751
    4THR      C   56   2.637   2.294   2.009
    4THR     OT   57   2.702   2.370   2.009
    4THR      O   58   2.703   2.370   2.009
    4THR     HO   59   2.762   2.451   2.009
   4.00000   4.00000   4.00000