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.
Convergence of Ebulk for a 100 ns simulation of bulk TIP4P-2005 water: the running average of Ebulk for a 100 ns NPT simulation of bulk TIP4P-2005 water at 300 K and 1 atm. The running average is calculated for 400 blocks of 250 ps. Each block is the average potential energy per water molecule taken from 2500 samples with one every 100 fs.
