[CP2K-user] [CP2K:19137] Souce to Learn Classical MD Simulation
Sucharita Giri
sucharitagiri2 at gmail.com
Mon Jul 24 21:44:47 UTC 2023
Hello,
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,
Sucharita
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