[gmx-users] problem with pdm2gmx

hugo verli hugo at acd.ufrj.br
Mon Feb 25 14:09:58 CET 2002

I have used the PRODRG server to convert a molecule. The minimization in gromacs
works fine. But when I tried to run pdb2gmx to make a .pdb file and see it in
VMD, I received the following error:

Back Off! I just backed up topol.top to #topol.top#
Processing chain 1 (6 atoms, 1 residues)
Opening library file /usr/local/share/gromacs/top/specbond.dat
5 out of 5 lines of specbond.dat converted succesfully
There are 0 donors and 0 acceptors
There are 0 hydrogen bonds
Fatal error: Residue 'DRG' not found in residue topology database

There is some way to fix it?

Thanks in advance,

Hugo Verli.

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