Developers.Variables.scan_1D

Variable "scan_1D" in MolDynSim

This variable specifies details of the one-dimensional force field scans in ourmol_ScanPot_1D.m MATLAB function. It is a structured variable that should initially contain the following fields :

field	description
spec1	select first molecular species (integer)
spec2	select second molecular species (integer)
euler1	rotate first molecule (Euler z, x, z rotations, column vector of 3 real numbers)
euler2	rotate second molecule (Euler z, x, z rotations, column vector of 3 real numbers)
shift1	translate first molecule (column vector of n_dim real numbers)
shift2	translate second molecule (column vector of n_dim real numbers)
coordinate	scan coordinate along z, e.g., linspace(0.3, 0.7, 41) (vector of real numbers)