[gmx-developers] gmx 2018-beta1 Initial temperature reported in md.log

[Mark Abraham]

Hi,

Thanks for the test, the compliment to the team, and the report, Carlo!

Is the integrator md, md-vv or something else?

Thanks!

Mark

On Wed, Nov 29, 2017 at 2:41 PM Carlo Camilloni <carlo.camilloni at gmail.com>
wrote:

> Sorry, in the mail before I reported the wrong temperature, the
> temperature reported in gmx2018-beta1
> Is exactly twice of the one reported in gmx2016.4
>
> Initial temperature: 600.828 K
>
>
> In the code (md.c <http://md.cc>pp:780) the temperature is multiplied by
> a factor of 2, but it was already like this in gmx2016.4.
>
> Cheers,
>
> Carlo
>
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