ask for help to prepare an input file and run a simulation
m.dela... at gmail.com
m.dela... at gmail.com
Tue Sep 23 10:50:00 UTC 2014
Hi friends!
I’m interested in CPMD.
I want to use CP2K in study of water and some other solvents.
But I’m new in simulation and MD!
I just install CP2K and read some tutorials in its website, but don’t know
how to start!
Please someone help me step by step!
I know my question is some vague!, but let’s ask!
What I must know? What procedure should I follow to run a simulation in
CP2K?
I would be grateful if someone give me an appropriate input example!
Thanks!
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