[gmx-users] UNL residue error

Radhika Arora radhika.arora0509 at gmail.com
Sun Feb 25 17:53:31 CET 2018


Hello,


I face an error in PDB file of cellulose to run GROMACS. I want to know
what should I write in place of UNL residue.


ATOM   1700  C   UNL     1      29.680 -48.720 -19.563  0.00 -0.02
.177 C

ATOM   1701  C   UNL     1      13.970 -44.542 -17.378  0.00 -0.02
.177 C

ATOM   1702  C   UNL     1       6.116 -42.453 -16.285  0.00 -0.02
.177 C

ATOM   1703  C   UNL     1      -1.739 -40.364 -15.193  0.00 -0.02
.177 C

ATOM   1704  C   UNL     1      -9.594 -38.274 -14.101  0.00 -0.02
.177 C

ATOM   1705  C   UNL     1      21.826 -46.631 -18.470  0.00 -0.02
.177 C

ATOM   1706  C   UNL     1      43.915  -4.197   5.342 -0.01 -0.05
.178 C

ATOM   1707  C   UNL     1      47.803  -0.833   8.026 -0.01 -0.05
.178 C

ATOM   1708  C   UNL     1      46.897   4.435  10.275 -0.00 -0.05
.178 C

ATOM   1709  C   UNL     1      50.785   7.800  12.959  0.00 -0.05
.178 C
ATOM   1710  C   UNL     1      49.879  13.068  15.208  0.00 -0.04
.178 C



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