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gmx::DensityFittingModuleInfo Struct Reference

#include <gromacs/applied_forces/densityfitting.h>

Description

Information about the density fitting module.

Provides name and method to create a density fitting module.

Static Public Member Functions

static std::unique_ptr< IMDModulecreate (MdModulesNotifier *notifier)
 Creates a module for applying forces to fit a given density. More...
 

Static Public Attributes

static const std::string name_ = "density-guided-simulation"
 The name of the module.
 

Member Function Documentation

std::unique_ptr< IMDModule > gmx::DensityFittingModuleInfo::create ( MdModulesNotifier *  notifier)
static

Creates a module for applying forces to fit a given density.

Fitting an all-atom structure into an experimental cryo-EM density map is a typical application.


The documentation for this struct was generated from the following files: