Figure 3.
OPES-MetaD sampling on HP35 using the folding/unfolding LDA coordinate. (A) LDA coordinate vs times for OPES-MetaD simulation. (B) Comparison of free energy estimated from unbiased MD and OPES-MetaD.
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.