<div dir="ltr">Hello there,<br>I am trying to run pdb2gmx on 3bzu.pdb file and got the following error<br><br>Opening library file /usr/share/gromacs/top/<div dir="ltr">ffG43b1.rtp<br>Opening library file /usr/share/gromacs/top/aminoacids.dat<br>
Reading 3bzu.pdb...<br>WARNING: all CONECT records are ignored<br>Read 'CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; 6 BETA-HSD1', 8581 atoms<br>Opening library file /usr/share/gromacs/top/xlateat.dat<br>26 out of 26 lines of xlateat.dat converted succesfully<br>
Analyzing pdb file<br><br>-------------------------------------------------------<br>Program pdb2gmx, VERSION 3.3.3<br>Source code file: pdb2gmx.c, line: 878<br><br>Fatal error:<br>Chain identifier 'A' was used in two non-sequential blocks (residue 1034, atom 7961)<br>
-------------------------------------------------------<br> as I am new to this field. I'm finding it very difficult to find the reason and rectify it.<br>Any suggestion would be of great help......<br><br>With Thanx,<br>
<font color="#888888">
Vivek</font></div></div>