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

2009-02-25 Thread Mark Abraham
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

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

2009-02-24 Thread anoop dimri
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