List of CommandsΒΆ

cgib

Distribution and Boltzmann inversion analysis

cgmap

Convert AA trajectories into a CG trajectory

cgfm

Force-matching to construct force tables with B-Spline or other linear models

cgnes

Normal Equations Solver for Force-Matching Method

cgdump

Dump force/potential tables from force-matching results

cgderiv

Calculate derivatives with respect to the model parameters from CG trajectories.

cgrem

Iterative relative-entroy method (REM) for CG modeling.

cghenm

Construct Heterogeneous Elastic Network Models

cged

CG Mapping for Essential Dynamics