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Yang, X., Wang, Y., Byrne, R., Schneider, G

10.1016/j.watres.2018.10.068 [PubMed: 30408731] [CrossRef] Tovar AP, Navalta JW, Kruskall LJ, Young JC (2017)

The temperature was kept at 300 K in all simulations using a velocity rescaling thermostat 36 , and the pressure was kept at 1 bar (using a Berendsen barostat 37 for the equilibration steps and a ParrinelloRahman barostat 38 for the production)