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Figure 2
Time course of the molecular structure and the constraint force vectors during the refinement process with SAXS_MD. The transient structures after 50 fs (a), 100 fs (b) and 150 fs (c) are presented along with the corresponding constraint force vectors. Covalent bonds are omitted for simplicity, and the force vectors are drawn as dark red lines. The time course of overall constraint energy has been presented by Kojima et al. (2004BB8).

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ISSN: 1600-5775
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