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. Author manuscript; available in PMC: 2016 Jul 30.
Published in final edited form as: J Comput Chem. 2015 Jun 12;36(20):1536–1549. doi: 10.1002/jcc.23964

Table 1.

Summary of the aMD simulations with best-chosen aMD parameters.

System Nres Natoms Force Field aMD (a1, a2; b1, b2)
Chignolin 10 6,773 Amber ff99SB 300ns x3 (3.5, 3.5; 0.175, 0.175)
Trp-cage 20 34,370 Amber ff99SB 500ns x4 (3.5, 3.5; 0.175, 0.175)
Villin 35 33,915 Amber ff03 500ns x9 (4.0, 4.0; 0.3, 0.3)
WW domain 35 26,497 Amber ff96 500ns x10 (4.0, 4.0; 0.3, 0.3)