On 2/26/18 11:22 AM, Radhika Arora 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
This is the exact same problem that I replied to yesterday, just with
BGL instead of UNL.
https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2018-February/118832.html
Please pay attention to the free help you are given, and make an effort
to use the resources provided to you.
-Justin
--
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalem...@vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html
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