simulation and equilibration

From: bo baker (
Date: Tue Jan 10 2006 - 18:01:46 CST

Hello, NAMD:

What is the difference between NPT (constant number, constant pressure
and constant temperature) simulation and equilibration at constant
temperature without any restrains on the atom? I look at the .conf
files, and can't tell the difference. Which part of .conf tells NAMD
to do the simulation rather equilibration?



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