itp file is not self-sufficient.

[dspoel]

It would be good to add a link in the documentation of where to download the exact martini ff file corresponding to the itp file provided here.

[dspoel]

Of course it was easy to find the official Martini 3.0 repository, but bow I found that the small molecules file there is different from the one provided here. So which one is the official one?

[ricalessandri]

Thanks for opening this issue. Indeed there is some confusion on the itp versions. Here's the answers to your questions:

• this is the martini ff file (v3.0.0) that goes with the official small molecule database
• this is the official small molecule itp: https://github.com/ricalessandri/Martini3-small-molecules/blob/main/models/martini_v3.0.0_small_molecules_v1.itp; which is the same as the one that here is called v2; apologies for the confusion, we're converging to a unified versioning scheme

I will keep this issue open till I 1) make this clear in the docs; 2) switch to the versioning scheme that is un-ambiguous. In the meantime, let me know if something is still not clear.