Pteros  2.0
Molecular modeling library for human beings!
pteros::Frame Struct Reference

Definition of single trajectory frame. More...

#include <system.h>

Public Attributes

std::vector< Eigen::Vector3f > coord
 Coordinates of atoms.
 
Periodic_box box
 Periodic box.
 
float time
 Timestamp.
 

Detailed Description

Definition of single trajectory frame.

Frames are stored in System class. They represent actual trajectory frames, which are loaded from MD trajectories. Coordinates are stored in nm as in Gromacs, not in Angstroms!


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