[CP2K-user] Changing direction after killing job

mh H hadiz... at gmail.com
Wed Oct 2 15:36:15 UTC 2019

Dear all
I did some BOMD calculation on a droplet including several water molecules 
and a radical into a big box.after killing my job by myself and running 
that Job again, the direction of the center of mass will be changed, I have 
these following questions:
1) what's the reason for this changing direction?
2) This changing direction of the center of mass will affect the structure 
of neighboring water molecules around that radical?

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191002/98d47246/attachment.htm>

More information about the CP2K-user mailing list