Dear Matt , <div>I have attached an output movie file with this message. In that file, first image is the equilibrated structure of both molecules when placed to closed to each other. Then, After running a meta-dynamics run for few steps the water molecule moves far apart from the parent (fixed) molecule. As i mentioned in the original message : I wanted to restrict the water molecule within a certain distance ( not fixed ) during meta-dynamics run, so as to maintain enough interactions between molecules to perform this reaction. Any suggestions would be appreciated. </div><div><br></div><div>Regards</div><div>Aditya</div><div> </div>
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