cat.trj: Concatenate simulations

In SOMMD: Self Organising Maps for the Analysis of Molecular Dynamics Data

Concatenate simulations

Description

Function to concatenate two simulations.

Usage

cat.trj(trj1, ...)

Arguments

trj1	the first trj file
...	additional trj files

Value

A trj object with the simulations concatenated

Author(s)

Stefano Motta [e-mail]

Examples

# Read the simulations
trj1 <- read.trj(trjfile = system.file("extdata", "HIF2a-MD.xtc", package = "SOMMD"),
  topfile = system.file("extdata", "HIF2a.gro", package = "SOMMD"))
trj2 <- read.trj(trjfile = system.file("extdata", "HIF2a-MD-2.xtc", package = "SOMMD"),
  topfile = system.file("extdata", "HIF2a.gro", package = "SOMMD"))
# Concatenate the simulations
  trj <- cat.trj(trj1, trj2)

SOMMD documentation built on Oct. 2, 2024, 5:07 p.m.