add support for different lipids

patrickfuchs / buildH

:computer: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.

https://buildh.readthedocs.io/

BSD 3-Clause "New" or "Revised" License

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Closed HubLot closed 3 years ago

HubLot commented 3 years ago

Currently:

It's in draft mode while I add more lipids but it will help tracking the new lipids added

HubLot commented 3 years ago

can be merged now

patrickfuchs commented 3 years ago

Great work, thanks @HubLot ! I quickly went through the files and for me it's OK, except the file names for GROMOS-CKP: could you rename CPK to CKP?

patrickfuchs commented 3 years ago

Could you please also tell the lipids you added in CHANGELOG.md?

HubLot commented 3 years ago

okay done!