NTEMPER: Difference between revisions
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Revision as of 08:28, 17 March 2022
NTEMPER = [integer]
Default: NTEMPER = 200
Description: NTEMPER specified how often temperature swaps are attempted during parallel tempering. The flag must be used in combination with IMAGES and LTEMPER.
NTEMPER must be a positive integer. Swaps are attempted after NTEMPER molecular dynamics steps.