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 12:50:00 CEST 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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