[gmx-users] Fatal error: Atom CG is used in the topology database...
andy.somogyi at gmail.com
Fri Mar 23 22:33:41 CET 2012
I'm trying to generate topology for a PDB from viperdb, PDB ID 1DZL, http://viperdb.scripps.edu/info_page.php?VDB=1dzl
pdb2gmx -f 1dzl_full.pdb -o test.pdb -p test.top
I've tried CHARMM27 and AMBER03 FFs, water none and I get the result:
Atom CG is used in the topology database, but an atom of that
name was not found in residue number 1.
I have not have much luck finding this error in any mailing list.
If the PDB does have missing atoms, can pdb2gmx guess missing atoms like VMD's psf gen?
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