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

anoop dimri anoop.dimri at gmail.com
Wed Feb 25 08:51:43 CET 2009

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

Anoop Dimri
Dept. Of Pharmacoinformatics
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