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SimulationStep, Minimization, Heating, Equilibration, Production #20

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keisuke-yanagisawa opened this issue Apr 17, 2023 · 0 comments

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keisuke-yanagisawa commented Apr 17, 2023

A work for object-oriented coding

SimulationStep creates an mdp file for gromacs
Minimization, Heating, Equilibration, and Production are subclasses of SimulationStep
It has input/output files information

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