Backmap

class Backmap : public feasst::AnalyzeWriteOnly 

Write a backmapping trajector where anisotropic sites are converted into multi-site models.

Arguments

site[i]: site type of anisotropic site to backmap. The “[i]” is to be substituted for an integer 0, 1, 2, …
fstprt[i]: fstprt to backmap anisotropic site into. The “[i]” is to be substituted for an integer 0, 1, 2, …
Stepper arguments.
append is always set to true via Stepper:set_append().

Public Functions

void initialize(MonteCarlo *mc): Write the sample VMD files and the initial configuration.