Backmap

class Backmap : public feasst::AnalyzeWriteOnly

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

Public Functions

void initialize(MonteCarlo *mc)

Write the sample VMD files and the initial configuration.

std::string write(const MonteCarlo &mc)

Write the configuration.

Arguments

• sites: comma-separated list of names of anisotropic sites to backmap.

• fstprts: comma-separated list of particle files to backmap anisotropic sites into, with same length as the sites argument.

• FileVMD, FileXYZ and Stepper arguments.

• append is always set to true via Stepper:set_append().