No default Improper Dihedral Types in amber14sb_OL15.ff

[k-swayze]

I am trying to use grommp to write a tpr file but keep encountering the following error when trying to use amber14sb_OL15.ff:

ERROR 9 [file topol_Protein_chain_C.itp, line 142001]:
No default Improper Dih. types

Has anyone every encountered/solved this issue?

[molsim]

Hi, I'd start debugging by looking exactly at the line 142001 to see what impropers it could not find.

[satary]

It is highly likely that the error is in histidine. Not all protonation forms work correctly for some reason.

[Gab0]

Hey, I've had a similar issue, except not with that exact line number.
The fix described solved it for me:

http://zhenglz.blogspot.com/2017/05/fixing-bugs-in-ff14sb-port-for-gromacs.html

This applies to at least amber14sb and amber14sb_parmbsc1_cufix.

I wonder if the repo owner (or anyone that would create the pull request) is in a position to apply the fix in the source file,
or should be redistribute the force fields as they are and lead the users to the patch instructions?