[CP2K-user] [CP2K:17202] Epsilon and sigma values

Upasana Nath upa.riki at gmail.com
Wed Jun 22 10:26:27 UTC 2022


Dear all,
I am new to CP2K. Can you please help how I can find the sigma and epsilon
values for my MD calculation? and how can I define the forcefield or FIST
takes care of all.


Regards
Upasana

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