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. Author manuscript; available in PMC: 2019 Nov 13.
Published in final edited form as: J Chem Theory Comput. 2018 Oct 25;14(11):5797–5814. doi: 10.1021/acs.jctc.8b00413

Figure 6.

Figure 6.

Performance benchmarks on CPUs and single gaming GPUs, simulating HP36 in GB and GB/SA (LCPO and pwSASA) models. The speed up multiples (percentages) denoted are calculated from the respective ns simulation/day achieved in our method divided by that obtained using LCPO on the same architecture.