Hello there, I am trying to run pdb2gmx on 3bzu.pdb file and got the following error
Opening library file /usr/share/gromacs/top/ffG43b1.rtp Opening library file /usr/share/gromacs/top/aminoacids.dat Reading 3bzu.pdb... WARNING: all CONECT records are ignored Read 'CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; 6 BETA-HSD1', 8581 atoms Opening library file /usr/share/gromacs/top/xlateat.dat 26 out of 26 lines of xlateat.dat converted succesfully Analyzing pdb file ------------------------------------------------------- Program pdb2gmx, VERSION 3.3.3 Source code file: pdb2gmx.c, line: 878 Fatal error: Chain identifier 'A' was used in two non-sequential blocks (residue 1034, atom 7961) ------------------------------------------------------- as I am new to this field. I'm finding it very difficult to find the reason and rectify it. Any suggestion would be of great help...... With Thanx, Vivek
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