Questions tagged [martini]
Questions about the Martini forcefield and related programs such as MartiniTools, Martinize, Martinize2, etc.
2
questions
6
votes
0answers
47 views
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 ...
9
votes
0answers
102 views
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 ...