[CP2K-user] [CP2K:19137] Souce to Learn Classical MD Simulation

Sucharita Giri sucharitagiri2 at gmail.com
Mon Jul 24 21:44:47 UTC 2023


I am a new user of cp2k and want to simulate classical MD of liquid 
systems. I have few doubt:
1. How do I obtain/create the system's initial geometry?
2. How can I create a forcefield file? (If I have the parameters from a 
journal or if this data is not available) 

I have completed a few assignments on the website but would like to create 
the input file from scratch. It would be extremely great if someone could 
offer me with useful sources.

Thanks in advance,

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