Re:

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
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.

axel.

On Thu, Apr 26, 2018 at 9:35 AM, Giacomo Fiorin
<giacomo.fiorin_at_gmail.com> 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 <jerome.henin_at_ibpc.fr> wrote:
>>
>> http://lmgtfy.com/?q=tip3p+heavy+water
>>
>> You're welcome.
>>
>> On 26 April 2018 at 14:02, shyam sharma <shyam14u27_at_gmail.com> 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
> http://goo.gl/Q3TBQU
> https://github.com/giacomofiorin

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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