[gmx-users] Time evolution of distance of Hydrogen bond
mutemibiochemistry at gmail.com
Thu Aug 21 02:54:16 CEST 2014
I am working on protein-ligand MD simulation. I have managed to get the
number of H-bonds formed between the protein and ligand throughout my
simulation period. I noticed three important residue participate in the
formation of this H-bonding network.
I need to determine the *time evolution* of the specific H-bond *distance*
throughout my simulation. How do I go about this?
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