[CP2K-user] [CP2K:17422] Molecular Dynamics using CP2K

[Niharika Keot]

Dear All,

Good afternoon!

I am working on Mn(II)-complexes. As I am very new to Molecular Dynamics 
simulations.  Can we do Molecular dynamics simulations of these complexes 
using the CP2K software package? how can we determine the Lennard Jones 
potential and the epsilon, sigma, and RCUT value? Can you please help me 
out?

Thank you in advance!

Regards
Niharika Keot
IIT Guwahati 

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