Configurational temperature in membrane simulations using dissipative particle dynamics.
The use of excessively long time steps in dissipative particle dynamics simulations may produce simulation artifacts due to the generation of configurations which are not representative of the desired canonical ensemble. The configurational temperature, among other quantities, may be used to assess the extent of the deviation from equilibrium. This paper presents results for simulations of models of water and lipid bilayer membranes to illustrate the nature of the problems.
Department of Physics and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL, United Kingdom.
Michael P
MP
Allen