[gmx-users] constrained bonds

marzieh dehghan dehghanmarzieh at gmail.com
Tue Dec 2 19:19:48 CET 2014

Hi every body

I created covalent bond by the latest version of autodock.according to the
tutorial of protein-ligand complex with gromacs, the result of covalent
bond was used for MD. after energy minimization, ligand was separated from

 I would like to know how can I occur constrained bond between protein and
ligand to keep them in the suitable distance?

thanks a lot

best wishes


*Marzieh DehghanPhD Candidate of BiochemistryInstitute of biochemistry and
Biophysics (IBB)University of Tehran, Tehran- Iran.*

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