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. Author manuscript; available in PMC: 2014 Feb 1.
Published in final edited form as: J Chem Theory Comput. 2013 Jan 10;9(2):1115–1124. doi: 10.1021/ct300996m

Table 1.

Number of degrees of freedom and energy corrections for each simulated system with respect to reservoir temperatures.

System Degrees of Freedom Energy added (kcal/mol)
Ala3 104 41.33 (400K)
Ala10 279 117.81 (425K)
Trpcage 762 333.13 (440K)