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

Carlo Camilloni carlo.camilloni at gmail.com
Wed Nov 29 14:41:04 CET 2017


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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20171129/727d5ab4/attachment.html>


More information about the gromacs.org_gmx-developers mailing list