SOMMD (version 0.1.2)

trj2xyz: Convert Trajectory to xyz

Description

Convert the trj coordinates 3D-array in a 2D matrix.

Usage

trj2xyz(trj, inds = NULL)

Value

a xyz matrix with frames on rows and coordinates as columns

Arguments

trj

an object with class trj

inds

indices for the output coordinates

Author

Stefano Motta

Examples

#Read trajectory
trj <- read.trj(trjfile = system.file("extdata", "HIF2a-MD.xtc", package = "SOMMD"),
  topfile = system.file("extdata", "HIF2a.gro", package = "SOMMD"))
trj2xyz(trj)