[CP2K-user] [CP2K:19896] How to run md of small molecules?

Amina Faiz aminafaiz37 at gmail.com
Tue Feb 13 06:43:23 UTC 2024


Hello everyone;
I am new in the field of molecular dynamics,kindly help me in this regard.
I want to run md of small molecules that is ligand if anyone have the 
script to run kindly let me know or if anyone know the procedure kindly 
help me
Thanks....

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