Martini-Force-Field-Initiative / GoMartini

New virtual-site implementation of GōMartini for the Martini 3 forcefield
Apache License 2.0
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Make it possible to add different W-VS biases to different residues. #5

Closed Lp0lp closed 1 year ago

Lp0lp commented 1 year ago

Might come in handy for proteins that have both transmembrane helices and IDP regions.

Could maybe make it so that it reads the .itp DSSP line and then adds a standard coil/helix bias?

Could also take in an input size N, where N is the number of residues, where each i corresponds to a particular bias.