[CP2K-user] simulated annealing using cp2k

Sajal Kanti Dutta sajalkan... at gmail.com
Wed Mar 4 10:48:56 UTC 2020

Dear all,

I am very new to CP2K, and I am writing for help related to simulated 
annealing coding in CP2K. My system is enzyme-cellulose, and I want to do 
simulated annealing for various configurations of that system. I am not 
able to write a code with start and end temperatures, and ramp rates for 
annealing. Can any one help me to resolve this problem?

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