[gmx-users] How to treat c=c double bonds in gromos54a7 forcefield

[Isser, Ariel Y.]

Hi,

I noticed in the gromos54a7.ff folder that the .itp file for the lipid popc written to correspond with the gromos54a7 forcefield treats the covalent bond interactions of c=c double bonds the same as the .rtp entry for aromatic c=n bonds.

Is this the proper way of handling c=c double bonds or is there a more precise alternative.

Thank you,
Ariel Isser