Skip to main content
. Author manuscript; available in PMC: 2010 Mar 10.
Published in final edited form as: J Chem Theory Comput. 2009 Mar 10;5(3):627–640. doi: 10.1021/ct800397z

Figure 6.

Figure 6

Convergence of the ensemble-averaged rmsd as a function of temperature for 1E0G, calculated from windows of 20 mln consecutive steps corresponding to regular REMD starting from the extended structure (a) and from the native structure (b) and from windows of 2.5 mln steps corresponding to MREMD with multiplexing of 8 replicas per temperature starting from the extended structure (c) and from the native structure (d). The curves in all panels are colored according to the duration of simulation; the color scale (in million steps) is a rainbow from red (shortest) to blue (longest) shown above each panel.