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.
Color scheme: run 1 (orange), run 2 (violet), and run 3 (cyan). For triplicate runs, trajectory files between 40ns and 50ns were used to elucidate the pattern with the greatest convergence. Trajectory run 2 (violet) shows the best convergence pattern.
