Questions tagged [martini]

Questions about the Martini forcefield and related programs such as MartiniTools, Martinize, Martinize2, etc.

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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 ...
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What is the purpose of DSSP when using martinize2?

I am studying an IDP with a lot of helical secondary structure, and trying to find a trajectory that I can use as an ensemble that fits my SAXS data. My starting models are the output from the Robetta ...