[gmx-users] Grompp error
fsaadedi at staffmail.ed.ac.uk
Thu Dec 1 17:52:51 CET 2005
I have added Cl ion to my peptide in water system pdb and topology files.
But I have a problem when I run grompp:
Fatal Error: Atoms in the .top are not numbered consecutively from 1.
The pdb is numbered correctly and I have added the the spc.itp and
clion.itp to the topology file.
Any ideas would be appreciated
Thank you in advance.
Membrane Biophysics Laboratory
Department of Veterinary Biomedical Sciences
College of Medicine & Veterinary Medicine
Royal (Dick) School of Veterinary Studies
University of Edinburgh
Edinburgh EH9 1QH
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