[gmx-users] residue error

[Quyen V. Vu]

This is nonstandard residue so GROMACS does not have database about it.
you need to generate database consistent with your forcefield

On Mon, Feb 26, 2018 at 11:22 PM, Radhika Arora <radhika.arora0509 at gmail.com
> wrote:

> Hello,
>
> I face an error Residue 'BGL' not found in residue topology database.
> Please let me know how shall i rectify this and what do i need to write in
> place of BGL.
>
>
> HETATM 1700  C   BGL     1      29.680 -48.720 -19.563  0.00 -0.02
>  .177 C
> HETATM 1701  C   BGL     1      13.970 -44.542 -17.378  0.00 -0.02
>  .177 C
> HETATM 1702  C   BGL     1       6.116 -42.453 -16.285  0.00 -0.02
>  .177 C
> HETATM 1703  C   BGL     1      -1.739 -40.364 -15.193  0.00 -0.02
>  .177 C
> HETATM 1704  C   BGL     1      -9.594 -38.274 -14.101  0.00 -0.02
>  .177 C
> HETATM 1705  C   BGL     1      21.826 -46.631 -18.470  0.00 -0.02
>  .177 C
> HETATM 1706  C   BGL     1      43.915  -4.197   5.342 -0.01 -0.05
>  .178 C
> HETATM 1707  C   BGL     1      47.803  -0.833   8.026 -0.01 -0.05
>  .178 C
> HETATM 1708  C   BGL     1      46.897   4.435  10.275 -0.00 -0.05
>  .178 C
> HETATM 1709  C   BGL     1      50.785   7.800  12.959  0.00 -0.05
>  .178 C
> HETATM 1710  C   BGL     1      49.879  13.068  15.208  0.00 -0.04
>  .178 C
> HETATM 1711  C   BGL     1      53.767  16.432  17.892  0.00 -0.04
>  .178 C
> HETATM 1712  C   BGL     1      52.861  21.700  20.141  0.00 -0.03
>  .178 C
> HETATM 1713  C   BGL     1      56.749  25.064  22.825  0.00 -0.03
>  .178 C
> HETATM 1714  C   BGL     1      55.843  30.333  25.074  0.00 -0.03
>  .178 C
> HETATM 1715  C   BGL     1      59.731  33.697  27.758  0.00 -0.03
>  .178 C
> HETATM 1716  C   BGL     1      44.820  -9.465   3.093  0.00 -0.05
>  .178 C
> HETATM 1717  C   BGL     1      40.933 -12.829   0.409  0.00 -0.05
>  .178 C
> HETATM 1718  C   BGL     1      41.838 -18.098  -1.840  0.00 -0.04
>  .178 C
> HETATM 1719  C   BGL     1      37.951 -21.462  -4.524  0.00 -0.04
>  .178 C
> HETATM 1720  C   BGL     1      38.856 -26.730  -6.773  0.00 -0.03
>  .178 C
>
> ‌
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