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
manual.
Mark
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