Normal alanine dipeptide

Cheam, T. C. 1993. Normal Mode Analysis of Alanine Dipeptide in the Crystal Conformation Using a Scaled Ab Initio Force Field. J. Mol. Struct. 295,259-271. 

Figure 41. Solvent viscosity effects on low-frequency motions of alanine dipeptide. The normalized spectral density for the dihedral angle is plotted versus frequency (ps 1) for (a) dynamics on a vacuum potential surface (see Fig. 58a) (6) dynamics with a potential of mean force (see Fig. 58b) in a solvent of viscosity, y = 1.0 cP (c) dynamics with a potential of mean force (see Fig. 586) in a solvent of viscosity, ij > 1.0 cP.

Figure 6 The probability of gyration radius calculated on the heavy atoms for a trajectory of 200 ps of MD for alanine dipeptide for the minimum. The fitted normal...

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