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Fixed atom and boundary condition ab initio molecular dynamics (MD) with TeraChem http://hjkgrp.mit.edu/tutorials/2016-02-08-fixed-atom-and-boundary-condition-ab-initio-molecular-dynamics-md-terachem/
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Fixed atom and boundary condition ab initio molecular dynamics (MD) with TeraChem http://hjkgrp.mit.edu/tutorials/2016-02-08-fixed-atom-and-boundary-condition-ab-initio-molecular-dynamics-md-terachem/
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