[gmx-users] ffG43a1bon.itp: how to add new bond type in ffG43a1bon.itp

Mark Abraham Mark.Abraham at anu.edu.au
Wed Feb 25 12:36:32 CET 2009

anoop dimri wrote:
> Dear Gromacs users,
>         I am using Gromacs vs 3.3.3 on Open Suse LInux with ffG43a1 
> force field. My molecule contain aromatic carbon-chlorine bond, and i 
> want to assign bond type for this but there is no entry in 
> ffG43a1bon.itp correspond to aromatic carbon-chlorine bond. I got Force 
> constant and  Bond Length  values(0.173000 and  2.9288e+06) for this 
> bond by PRODRG2.5 Beta server. Can anyone help me how to add new Bond 
> Type in ffG43a1bon.itp

You will need to start with a thorough understanding of Chapter 5 of the 


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