[gmx-users] Question

[Eric Smoll]

Hello Gromacs users,

When running pdb2gmx, what determines the function number used for each
type of potential (bonds, angles, dihedrals, etc.). When I run pdb2gmx, my
dihedrals section is built with function number 3. I would like to change
this to function number 5. It is easy to edit the file manually but is
there a recommended way to do this?

Best,
Eric