[gmx-users] not found in atom type database

Magnus Andersson magnus.andersson at chembio.chalmers.se
Thu Dec 8 12:40:01 CET 2005

Hi all,

I've got a problem when trying to add iodine to the FF gromos96. I've made
the necessary changes in terms of LJ potentials (in file ffG43a1nb.itp)
and introduced the new atom in the .rtp file.

The error message given when running pdb2gmx is:

Residue 78Fatal error: Atom type I (residue I) not found in atomtype database

How can I fix this?

/Magnus Andersson

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