From: Axel Kohlmeyer (
Date: Thu Apr 26 2018 - 08:50:28 CDT

people have done classical MD simulations of heavy water and isotope
effects since more than a decade before i did my first steps in
simulating water, and *that* should already be considered ancient
history by now.

so this is not exactly a hot new topic anymore and thus not much of a
surprise, that web search results are not popping up straight on top.

on the other hand, because this is such a well established topic, a
reasonably detailed search of the published literature - which should
be at the beginning of *any* new research project - should have turned
up enough information to answer all the questions that were asked and
thus eliminated the need to post them here.


On Thu, Apr 26, 2018 at 9:35 AM, Giacomo Fiorin
<> wrote:
> Have you actually checked the results of the search? The answer is there,
> but man, it is so... TL;DR
> On Thu, Apr 26, 2018 at 8:20 AM, Jérôme Hénin <> wrote:
>> You're welcome.
>> On 26 April 2018 at 14:02, shyam sharma <> wrote:
>>> Dear all,
>>> How can I solvate carbon nanotube by heavy water? Can I do this by simply
>>> changing the mass of hydrogen of normal water? Which water model is
>>> appropriate for this simulation? Can I use the TIP3P water model for heavy
>>> water?
>>> Any kind of help will be appreciable.
>>> Regards
>>> Shyam
> --
> Giacomo Fiorin
> Associate Professor of Research, Temple University, Philadelphia, PA
> Contractor, National Institutes of Health, Bethesda, MD

Dr. Axel Kohlmeyer
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:21:02 CST