[gmx-users] Non-bonded Copper

Matthew Roode mjr2 at rice.edu
Mon Jun 29 01:06:51 CEST 2009

Greetings all,

Let me preface this by stating I'm new at MD simulation.  I am trying  
to perform a simulation which involves non-bonded copper atoms,  
amongst other things.  I'm making use of the Lennard-Jones potential  
to describe the non-bonded interactions between them, and I've input  
the parameters in the ff*nb.itp file after ensuring Cu was defined in  
the ffgmx.atp file.  I use x2top to generate the topology file, but  
the program stops on a fatal error telling me "No forcefield type for  
atom Cu (841) with 0 bonds".  Can any of you out there offer any  
advice on the cause of said error?  Thus far my troubleshooting has  

Thanks in advance for your assistance.


More information about the gromacs.org_gmx-users mailing list