Energy vs. Surface area plots

This is a variation of the distance vs. Rg plots. The difference is that the order parameters are surface and energy. To keep the calculation fast, the surface metric is the one calculated by carma (number of pixels making-up a fat molecular envelope). The energy comes from NAMD as described here.

The procedure is mostly identical with the one described previously (run carma to get surface-related metric, run NAMD to calculate interaction energies, grid the data, plot). Applying the procedure, for example, to RWTDQ ext1 gives

RWTDQ, energy vs surface

research/howto/preparation_of_energy_vs._surface_area_plots.txt · Last modified: 2009/03/19 14:21 (external edit)