[gmx-users] angle/distance/position restraints in alchemical free energy calculation

minky son minky0710 at gmail.com
Mon Nov 6 08:18:40 CET 2017

I want to apply distance or angle restraints between any atoms of protein
and any atoms of ligand to maintain the initial binding mode of ligand in
the protein when non-bonded interactions entirely turned off.

As described in figure 1 from the article (http


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