From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Apr 26 2018 - 09:12:42 CDT
Thanks for clarifying: these notes should be helpful in future searches.
Regarding the original request:
On Thu, Apr 26, 2018 at 10:05 AM, Brian Radak <brian.radak_at_gmail.com> wrote:
> Arguably off-topic:
> Is it really well-known that the origin of heavy water effects in this
> context is purely classical? NAMD is not setup to do things like path
> integral MD, which would be needed for proper modeling nuclear quantum
> effects. I've seen recent work in this area (Thomas Markland comes to
> mind), but I recall it being done with a specialized MD engine.
> On Thu, Apr 26, 2018 at 9:56 AM, Jérôme Hénin <jerome.henin_at_ibpc.fr>
>> Giacomo: I have actually checked the results. The top hit I get is this:
>> where the authors develop a modified version of TIP3P they call TIP3P-HW--0000000000008016e4056ac0fde2--
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