read.xvg: Read XVG files from GROMACS Molecular Dynamics package

Description

Read output data from a XVG format file.

Usage

read.xvg(file)

Arguments

file

a .XVG output file from GROMACS.

Details

XVG is the default format file from GROMACS molecular dynamics package, contains data formatted for import into the Grace 2-D plotting program.

References

Pronk, S., Pall, S., Schulz, R., Larsson, P., Bjelkmar, P., Apostolov, R., ... & Lindahl, E. (2013). GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit. Bioinformatics, 29 (7), 845-854.

Examples

Run this code

MD <- read.xvg(system.file("xvg-files/epot.xvg",package="Peptides"))
MD

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