Re: Type of solvent water molecules

From: Eduard Schreiner (
Date: Tue Apr 18 2017 - 16:21:01 CDT

Hi Oscar,

a quick google search or a look at
will answer your questions.
In short: the choice of the water model depends on the question you ask
from your simulation.
In addition, it may also depend on the parameterization of other components
in your system, e.g. if you are simulating proteins in water you may be
restricted in the choice of a water model.


On Tue, Apr 18, 2017 at 11:05 PM, Oscar Bastidas <>

> Hello,
> Would someone please tell me if TIP3P water molecules are the standard
> solvation for the version of NAMD presently available? I've heard of
> so-called TIP4P and TIP5P but I wasn't sure if these were special solvation
> models. Thank you.
> Respectfully submitted,
> Oscar B.
> Oscar Bastidas, Graduate Student
> Department of Chemical and Life Science Engineering
> Virginia Commonwealth University

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