Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Conformational transitions of the alanine dipeptide as a function of temperature in the LD simulations and as a function of the self-guiding temperature, Tsg, in the SGLD simulations. The self-guiding temperature, Tsg, defined by Eq. 27, reflects the conformational searching ability that is comparable to a high-temperature simulation at T = Tsg. The collision frequency is γ = 10∕ps. The SGLD simulations were performed at 300 K.
