Questions tagged [coarse-grained]

For models of molecular/biomolecular systems that reduce complexity by using a simplified representation of groups of atoms. One common example is the Martini force field

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Back-mapping Martini 3 coarse-grain to all-atom representations

I have a $10\mu s$ trajectory with 10,000 frames that I would like to backmap to atomistic representations so that I can compare my ensemble to experimental measurements. I am using MartiniTools for ...