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.arora0...@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 > > > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.