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. Author manuscript; available in PMC: 2017 Apr 5.
Published in final edited form as: J Comput Chem. 2015 Dec 15;37(9):836–847. doi: 10.1002/jcc.24274

Table 1.

The Intermediate States (λ) in This Study

Window Number sander pmemd
6 0.01, 0.2, 0.4, 0.6, 0.8, 0.99 0.01 becomes 0.00 and 0.99 becomes 1.00
11 0.01, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 0.99 0.01 becomes 0.00 and 0.99 becomes 1.00
15 0.01, 0.1, 0.2, 0.3, 0.35, 0.4, 0.45, 0.5, 0.55, 0.6, 0.65, 0.7, 0.75, 0.8, 0.9, 0.99 0.01 becomes 0.00 and 0.99 becomes 1.00
17 0.01, 0.1, 0.2, 0.3, 0.35, 0.4, 0.45, 0.5, 0.55, 0.6, 0.65, 0.7, 0.75, 0.8, 0.9, 0.99 0.01 becomes 0.00 and 0.99 becomes 1.00
21 0.01, 0.05, 0.1, 0.15, 0.2, 0.25, 0.3, 0.35, 0.4, 0.45, 0.5, 0.55, 0.6, 0.65, 0.7, 0.75, 0.8, 0.85, 0.9, 0.95, 0.99 0.01 becomes 0.00 and 0.99 becomes 1.00