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marrink-lab / polyply_1.0

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Apache License 2.0
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Add PTMA CG M3 model to polyply library [arXiv:2209.02072] #277

Closed ricalessandri closed 1 year ago

ricalessandri commented 1 year ago

Contributing the Martini 3 CG model developed for PTMA in https://arxiv.org/abs/2209.02072.

Test to follow.

ricalessandri commented 1 year ago

If you don't do this (5b4d858), the citations reader breaks, btw.

ricalessandri commented 1 year ago

Test added - I think that's it (if the test goes well).

fgrunewald commented 1 year ago

If you don't do this (5b4d858), the citations reader breaks, btw.

Yeah the bib text parser is not ideal but the bib text format is also a really and format, because there are multiple standards. If we could find someone to take care of this would be great.