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polyamorphism_optimization/polyamorphism_optimization/templates/params/annealing1.ini

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INI

INTEGRATOR = md
NSTEPS = 2000000
NLOG = 1000
NENERGY = 100
NSTXOUT = 1000
TCOUPL = v-rescale
TAUT = 0.5
TEMP = 10.0
PCOUPL = c-rescale
TAUP = 1.0