[gmx-users] dihedral types

Katie Maerzke maerzkek at gmail.com
Fri Jul 20 21:50:00 CEST 2012


Hi all -

I am trying to set up a topology file for an ionic liquid force field not included in Gromacs.  How do I know which dihedral type corresponds to which functional form?   For the angular potentials, I assume type 1 is harmonic - is this correct?

Thanks
Katie




More information about the gromacs.org_gmx-users mailing list