Nielsen, Moore, and Ensing Reply:

Steven O. Nielsen, Preston B. Moore, Bernd Ensing
2011 Physical Review Letters  
Nielsen, Moore, and Ensing Reply: In the preceding Comment [1], the authors criticize the multiscale molecular dynamics study reported in our original Letter [2] . The authors of the Comment present results of a test simulation, with a one-to-one mapping so that the total number of particles is fixed, in the NVE ensemble (i.e., without any thermostats) based on an implementation of the total energy function as given by Eqs. (1)-(3) of our Letter [2]. Significant observed energy drifts lead the
more » ... uthors of the Comment to the conclusion that thermodynamic equilibrium cannot be maintained by the method in question. This conclusion is based on a misunderstanding. The authors of the Comment assume that the method described in our Letter does not employ thermostats. However, our
doi:10.1103/physrevlett.107.099802 fatcat:36jju3y6n5cuncs4zp7cot2pei