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Friends,
I am trying to do a simulated annealing run. My system includes hydrocarbons on metal surafce. When I run the Simulated Annealing without metal atoms, I am able to achieve desired temperature changes. However, when I include metals, temperature in the heating step blows up. I am using TEBEG= 300K
and TEEND=400K with SMASS= 12.

Any suggestions?

Thanks
Nishant

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