I got a pdb file from prodrg2 and I did pdb2gmx: pdb2gmx -f test.pdb -p test.top -o test.gro
I was told "DRG" not found in residue topology. What can I do for this error information? My pdb file is as below: REMARK REMARK REMARK This file was generated by PRODRG version 061128.0522 REMARK PRODRG written/copyrighted by Daan van Aalten REMARK and Alexander Schuettelkopf REMARK REMARK Questions/comments to [EMAIL PROTECTED] REMARK REMARK When using this software in a publication, cite: REMARK A. W. Schuettelkopf and D. M. F. van Aalten (2004). REMARK PRODRG - a tool for high-throughput crystallography REMARK of protein-ligand complexes. REMARK Acta Crystallogr. D60, 1355--1363. REMARK REMARK HETATM 1 NAK DRG 1 15.040 1.790 -0.060 1.00 20.00 N HETATM 2 HAA DRG 1 15.040 0.790 -0.070 1.00 20.00 H HETATM 3 CAC DRG 1 16.110 2.570 -0.040 1.00 20.00 C HETATM 4 1HAC DRG 1 17.061 2.262 -0.040 1.00 20.00 H HETATM 5 CAA DRG 1 15.700 3.830 -0.020 1.00 20.00 C HETATM 6 1HAA DRG 1 16.288 4.639 -0.001 1.00 20.00 H HETATM 7 CAE DRG 1 14.370 3.830 -0.030 1.00 20.00 C HETATM 8 1HAE DRG 1 13.784 4.641 -0.024 1.00 20.00 H HETATM 9 CAO DRG 1 13.950 2.560 -0.050 1.00 20.00 C HETATM 10 CAQ DRG 1 12.620 2.120 -0.050 1.00 20.00 C HETATM 11 NAM DRG 1 11.530 2.890 -0.040 1.00 20.00 N HETATM 12 HAC DRG 1 11.530 3.890 -0.020 1.00 20.00 H HETATM 13 CAG DRG 1 12.210 0.850 -0.080 1.00 20.00 C HETATM 14 1HAG DRG 1 12.798 0.042 -0.105 1.00 20.00 H HETATM 15 CAI DRG 1 10.880 0.850 -0.070 1.00 20.00 C HETATM 16 1HAI DRG 1 10.298 0.037 -0.076 1.00 20.00 H HETATM 17 CAS DRG 1 10.450 2.110 -0.050 1.00 20.00 C HETATM 18 CAT DRG 1 9.120 2.530 -0.040 1.00 20.00 C HETATM 19 NAN DRG 1 8.040 1.740 -0.050 1.00 20.00 N HETATM 20 HAD DRG 1 8.060 0.740 -0.070 1.00 20.00 H HETATM 21 CAJ DRG 1 8.680 3.780 -0.010 1.00 20.00 C HETATM 22 1HAJ DRG 1 9.252 4.600 0.003 1.00 20.00 H HETATM 23 CAH DRG 1 7.350 3.760 0.000 1.00 20.00 C HETATM 24 1HAH DRG 1 6.753 4.562 0.026 1.00 20.00 H HETATM 25 CAR DRG 1 6.950 2.490 -0.030 1.00 20.00 C HETATM 26 CAP DRG 1 5.620 2.030 -0.030 1.00 20.00 C HETATM 27 CAF DRG 1 5.220 0.760 -0.040 1.00 20.00 C HETATM 28 1HAF DRG 1 5.820 -0.040 -0.046 1.00 20.00 H HETATM 29 CAB DRG 1 3.890 0.730 -0.040 1.00 20.00 C HETATM 30 1HAB DRG 1 3.317 -0.090 -0.059 1.00 20.00 H HETATM 31 CAD DRG 1 3.460 1.990 -0.010 1.00 20.00 C HETATM 32 1HAD DRG 1 2.504 2.283 0.009 1.00 20.00 H HETATM 33 NAL DRG 1 4.520 2.790 -0.010 1.00 20.00 N HETATM 34 HAB DRG 1 4.500 3.790 0.010 1.00 20.00 H CONECT 1 2 3 9 CONECT 2 1 CONECT 3 1 4 5 CONECT 4 3 CONECT 5 3 6 7 CONECT 6 5 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 1 7 10 CONECT 10 9 11 13 CONECT 11 10 12 17 CONECT 12 11 CONECT 13 10 14 15 CONECT 14 13 CONECT 15 13 16 17 CONECT 16 15 CONECT 17 11 15 18 CONECT 18 17 19 21 CONECT 19 18 20 25 CONECT 20 19 CONECT 21 18 22 23 CONECT 22 21 CONECT 23 21 24 25 CONECT 24 23 CONECT 25 19 23 26 CONECT 26 25 27 33 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 31 CONECT 30 29 CONECT 31 29 32 33 CONECT 32 31 CONECT 33 26 31 34 CONECT 34 33 END
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