Dear Gromacs users I want to create from 1AU1.pdb, the .gro and .top files.
Running this command pdb2gmx -ignh -f 1AU1.pdb -o 1AU1.gro -p topo.top -water spce and choose this forcefield: GROMOS96 53a6 force field (JCC 2004 vol 25 pag 1656) I get this error: Fatal error: Residue 'BGC' not found in residue topology database How can i fix it? Also what this message by pdb2gmx means? Problem with chain definition, or missing terminal residues. This chain does not appear to contain a recognized chain molecule. If this is incorrect, you can edit residuetypes.dat to modify the behavior. 8 out of 8 lines of specbond.dat converted successfully Thanks Regards D.M
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