Figure 1.

Structural Dynamics during simulation. Structural dynamics resulting from the MD simulation. (a): Two dihedral angles of a PEG1162 over simulation time. (b): Dihedral energy of three selected PEGs over simulation time. (c): System total energy over simulation time. Single data points as well as smoothed line calculated over 9 data points are shown. The number of subunits are given in the legends. (d): Radius of gyration over simulation time. Blue lines show raw data of (from top to bottom) PEG2746, PEG1426, PEG766, and PEG326. Red lines show the timespan over which average properties of the polymer molecule were calculated