- Image Gallery -

An intramolecular Spatial Distribution Function (SDF); The rotation of the side chains is visible. A Spatial Distribution Function (SDF) is cut by a clipping plane. A Spatial Distribution Function (SDF); the cut plane shows the particle density in the XY plane. An inverted Spatial Distribution Function (SDF) showing the eigenvolume of the molecule. A Spatial Distribution Function (SDF) with average velocity mapped onto its surface. Blue means slow and red means fast. The smoothing of Spatial Distribution Functions (SDFs) greatly improves their appearance. A Combined Distribution Function (CDF) with one channel being a distance and the other one being an angle. The raw distance and angle data that form the CDF in the previous image. A Combined Distribution Function (CDF) created from two distances between one reference and one observed molecule. A Combined Distribution Function (CDF) created from two distances between one reference and two different observed molecules. Temporal development of a dihedral angle; histogram over this development shown on the right side. A multi-interval analysis showing a Radial Distribution Function (RDF) from different intervals of the trajectory. Different Radial Distribution Functions (RDFs). Temporal development of intermolecular distances; histogram over this development (which is a RDF) shown on the right side. Two rare configurations of the system filtered out with TRAVIS. Neighborhood analysis showing the distance distribution of the n-th neighbor with n=1..5. A Temporal Development Overlay (TDO) plot showing the temporal motion of a cluster in the system. Velocity Distribution Functions (VDFs) for different atoms and molecules. Mean Square Displacement (MSD) plots for different atoms and molecules. Vector Reorientation Dynamics for different vectors defined. Dimer Existence Autocorrelation Functions (DACFs); The solid lines are the continuous curves and the dashed lines the intermittend. Dimer Lifetime/Displacement Distribution Function (DLDisp) showing how far a dimer travels while being intact. An intermolecular Van Howe Correlation Function (VHCF). An intramolecular Van Howe Correlation Function (VHCF), which is a generalization of Mean Square Displacement. Power Spectra of the components of the simulation box. Bond vibration spectra showing vibration frequencies of different C-C and C-N bonds. Bond vibration spectra showing vibration frequencies of different C-H bonds.