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. Author manuscript; available in PMC: 2020 Aug 5.
Published in final edited form as: J Comput Chem. 2019 Apr 17;40(21):1919–1930. doi: 10.1002/jcc.25840

Table III.

Calculation time (sec) of each component for 50 ps MD simulation of gene locus (time step is 1 fs)

Total time (sec) Ratio (%)
Total 9936.63 100.00
Integration 520.03 13.68
Bonded 13.68 0.14
Non-bonded (real) 2272.25 22.87
Non-bonded (reciprocal) 5493.88 55.29