[gmx-developers] gmx 2018-beta1 Initial temperature reported in md.log
mark.j.abraham at gmail.com
Wed Nov 29 15:29:42 CET 2017
Thanks for the test, the compliment to the team, and the report, Carlo!
Is the integrator md, md-vv or something else?
On Wed, Nov 29, 2017 at 2:41 PM Carlo Camilloni <carlo.camilloni at gmail.com>
> 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.
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