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TRAVIS

TRAVIS (TRajectory Analyzer and VISualizer) is a program package for analysing and visualising Monte Carlo and molecular dynamics trajectories.

TRAVIS is available as a module on Apocrita.

Usage

To run the default installed version of TRAVIS, simply load the travis module:

module load travis
travis

For help use -help or -? options.

Example job

TRAVIS is single threaded only

TRAVIS does not support multi-threading so only 1 core should be requested.

Serial job

Here is an example job using 1 core and 1G memory:

#!/bin/bash
#$ -pe smp 1
#$ -l h_vmem=1G
#$ -l h_rt=1:0:0
#$ -cwd
#$ -j y
#$ -N travis_job

module load travis

travis -p trajec1.xyz -i input.txt

Licensing

TRAVIS is open-source freeware and licensed under the terms of the GNU General Public License v3.

References