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. 2021 Jul 31;26(1):443–466. doi: 10.1007/s11030-021-10276-6

Table 8.

Formula for the calculation of RMSD

RMSD formula Symbol Explanation
RMSDx=1Ni=0N{ritx-[ri(tref)]}2 N No. of atoms in the selection of atoms
tref Reference Time, where initial frame = reference frame and time t = 0
r Position of selected atoms in x frame, post superimposition on the reference frame, provided the frame x is captured at time tx