Integrating δHλ/δλ from λ = 0 to λ = 1

[tarsisferreira]

Hi,

I followed your protocol from "Functional Disulphide Bonds: Methods and Protocols, Methods in Molecular Biology, vol. 1967" but could not properly understand how do you integrate the δHλ/δλ from 500 simulations. I tried using gmx bar but keep getting a "File *.xvg contains multiple sets but no legends, can not determine the lambda values.

Thank you for the nice protocol.