Peptides (version 1.1.2)

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

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

#    Time (ps)  Potential
#  1         1 6672471040
#  2         2 6516461568
#  3         3 6351947264
#  4         4 6183133184
#  5         5 6015310336
#  6         6 5854271488