saranyahoney17 at gmail.com
Wed Aug 16 09:05:51 CEST 2017
Thank you for your kind response.
I have made all the basic analysis and yes there are certain structural
changes that i have expected. But my clarification is as follows.
Initially, there were 6 H-bonds and when it reach around 15ns it is reduced
to 1 or 2. Do the effect of ligand over protein increase/decrease with a
number of hydrogen bonds? Or even a single bond between protein and ligand
is more sufficient to bring necessary changes to a protein?
*Molecular Quantum Mechanics Laboratory,*
*Department of Physics,*
More information about the gromacs.org_gmx-users