damped MD; temperature fluctuations
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anindya2710
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damped MD; temperature fluctuations
Hi, I am doing damped MD runs for some oligomer molecules (IBRION=3). I was wondering if,(as in conventional MD), particular temperatures can be assigned to the system? If yes, is there a way to monitor temperature fluctuations after each ionic step?
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admin
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Re: damped MD; temperature fluctuations
Damped MD is not a conventional MD.