Re: Langevin dynamics

From: Jérôme Hénin (
Date: Thu Feb 19 2004 - 15:33:20 CST

> Hi, I want to know what kind of solvent model NAMD uses when doing Langevin
> dynamics. Is it continuum solvent model or something else?

Have you read the answer to Lei Guo's last post ?
NAMD treats water with the explicit, all-atom TIP3P model. No continuum model
is implemented at present.

> Has anyone have
> experience to do Langenvin dynamics with NAMD?

Actually, just about every NAMD user does, since this is more or less the
"official" way of doing constant-T with NAMD.

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