[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?
Thanks,
Sajal
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