[gmx-users] not found in atom type database

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 8 13:12:31 CET 2005

Magnus Andersson wrote:
> 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?
Add it to the .atp file as well.

> /Magnus Andersson
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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