Bayesian Approach to Estimating Errors

This application implements the model from Camley, Lerner, Pastor, and Brown, J. Chem. Phys. 143, 243113 (2015)
See appendix of Venable, Ingólfsson, Lerner, Perrin, Camley, Marrink, Brown, and Pastor, J. Phys. Chem. B, 121, 3443-3457 (2017). for additional background.

Relative Error**
Water height* H (nm): +/-
System lateral size L (nm): +/-
Membrane viscosity ηm (Poise cm): +/-
Water viscosity ηf (Poise): +/-
Hydrodynamic radius R (nm): +/-
Interleaflet coupling b (Poise/cm): +/-
Temperature T (Kelvin):
Number of Iterations:
Measured diffusion coefficient from the simulation (cm2/s) +/-
Compute for single leaflet: peptide, monotopic protein, or lipid

* The total height of water in the system is 2H: if the vertical box size is Z nm, and the bilayer thickness is t, then H = (Z-t)/2.
** The relative change to be simulated - i.e. relative error = std dev / mean; right now code is log-normal for these quantities

N.B. All fields required; bad or missing input produces an error message page

Go back to single calculation.