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. 2001 May 8;98(11):5961–5964. doi: 10.1073/pnas.101516298

Figure 1.

Figure 1

Typical patterns of the coarse-grained site dipoles and vorticities found in the MD simulation (i). (A) Instantaneous site dipoles, (ri,R,t), coarse grained with sphere of R = 3Lcube at an exemplified instance t. Vectors with length || ≥ 0.8 × |max| are shown by bars. (B) Time-averaged site dipoles over the duration w = 300 ps, w(ri,R), coarse grained with R = 2Lcube. Vectors with length |w| ≥ 0.45 × |w,max| are shown by bars. (C) Vorticity of the instantaneous site dipoles, v(ri,R,t), calculated with the sphere of R = 6Lcube at the same instance t as in A. Vectors with length |v| ≥ 0.6 × |vmax| are shown by bars. (D) Vorticity of the time-averaged site dipoles over 300 ps, vw(ri,R), calculated with R = 6Lcube. Vectors with length |vw| ≥ 0.55 × |vw,max| are shown by bars.