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. Author manuscript; available in PMC: 2016 Dec 8.
Published in final edited form as: J Chem Theory Comput. 2015 Nov 25;11(12):5624–5637. doi: 10.1021/acs.jctc.5b00648

Figure 2.

Figure 2

The peptide system is compressed to a target pressure of 1200 Atm (see main text for details). In Figure 2A the extended energy is shown as a function of time. In Figure 2B the pressure is shown in red and the black horizontal line marks the target pressure of 1200 Atm. Figures 2C and 2D show volume and temperature also as functions of time.