On Tue, Jan 16, 2018 at 9:44 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> On Mon, Jan 15, 2018 at 9:33 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
> > Of course, you can check this pretty easily by printing a velocity
> > trajectory and computing the temperature of *just* the solvent for each
> > snapshot. The temperature should come out to close to 300 (subject to
>
> FYI the 'temperature' command of cpptraj can compute temperature based
> on velocity information.
>
s/pretty easily/SUPER easily/
:)
Very cool
--
Jason M. Swails
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Received on Tue Jan 16 2018 - 07:00:05 PST
