[gmx-users] opls kcal->kj conversion

[Mark Abraham]

> Wondering if there is a gromacs tool for converting the opls
> bond,angle,dihedral
> constants in ffoplsaabon.itp from kcal to kJ? If not, maybe someone would
> be
> willing to share their code?

Since all energy-related quantities in GROMACS are already in kJ mol-1,
what exactly do you want to do?

Mark