|From:||Xiaoyu Wang <xwang181@...5818...>|
|Date:||Fri, 25 May 2018 19:18:04 -0500|
Thanks for your suggestions. I forgot to mention that I did some post-process for c_ke to calculate temperature. So I did not use the c_ke/1.5 as the temperature. I understand the part that DOF are overestimated for water molecules. But why fix chunk/atom gives right temperature for water but wrong for copper?
Sent from my iPhone
On May 25, 2018, at 5:13 PM, Axel Kohlmeyer <akohlmey@...24...> wrote: