[CP2K-user] How to set the initial molecular velocity?
冬tlyer
tsd19... at gmail.com
Sun Oct 18 12:17:09 UTC 2020
Dear users:
Recently,i read a paper refers to a molecule with a setted velocity
colliding with a air-water interface. So i am confused with the velocity
setting . If i want give a velocity for my one molecule ,which session
should i place the keyword in ? And what else important settings i should
focus .
thanks!
Tlyer
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201018/6dacd2b1/attachment.htm>
More information about the CP2K-user
mailing list