Chris Brasnett
Chris Brasnett
In #661 we changed the napoleon aliases to None to fix an issue with the docs. In future this will be fixed in Sphinx, so we can put it back....
as discussed in #639 - write global #ifndef at top of itps - change value of posres_fc to global - add some tests for the posres processor - add documentation...
This PR: 1) Adds the IDP force field of @WangLiguo-kyrie as per [the parameters](https://github.com/Martini-Force-Field-Initiative/Martini3-IDP-parameters) 2) Makes some small edits for Go models to ensure that for multi domain proteins Go...
running eg. `martinize2 -f clean.pdb -x cg.pdb -o topol.top -modify HIS:HIS-HP` raises an inconsistent data warning about atoms being covered by multiple blocks. Doesn't seem to affect other modifications. Can...
if you just give `-water-bias` without `-water-bias-eps` then there aren't any additional interactions written to the nonbond_params.itp. I think this is probably by design (atm) but it might be useful...
Rather than pasting a long string, it might be nice if there was an option to read the secondary structure from some kind of text file. This is slightly inspired...