Re: Question of using deuterated water in NAMD

From: Jérôme Hénin (
Date: Tue Sep 04 2012 - 14:25:57 CDT

Hi Ganesh,

> I am trying to simulate a box of deuterated water. Is it enough that I
> change the mass of the hydrogen for water to 2?

Enough for what?

If you mean, enough in general - that is, enough for the universe at
large to keep going, then yes. You probably don't even need to do that

If, on the other hand, you have ulterior motives, you might want to
tell us about them. For instance, if you expect something specific
from this simulation, that sort of thing.


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