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. 2015 Sep 3;25(1):204–218. doi: 10.1002/pro.2753

Table 1.

Approximate Computational Cost Associated With Each Solvent Model Relative to the Cost of a Vacuum Calculation for Simulations of Src SH2 Domain

Solvent model ns/daya Cost relative to vacuuma
Vacuum 91.1 1
TIP3P 3.82 ∼23.8b
GBMV II 13.93 ∼6.5
FACTS 26.44 ∼3.4
SCPISM 60.75 ∼1.5
a

Calculated using two 8‐core Intel Xeon‐E5 processors, totaling 16 cores.

b

Simulation box contains the SH2 domain and 6840 water molecules.