A simple tutorial on analysing membrane protein simulations. Philip Fowler, 3rd September 2014 0 shares I’m teaching a short tutorial on how to analyse membrane protein simulations next week at the University of Bristol as part of a series arranged by CCPBioSim. As it is only 90 minutes long, it only covers two simple tasks but I show how you can do both with MDAnalysis (a python module) or in Tcl in VMD. Rather than write something and just distribute it to the people who are coming to the course, I’ve put the whole tutorial, including trajectory files and all the example code here on Github. Please feel free to clone it, make changes and send a pull request (or just send me any comments). Share this:Twitter Related molecular dynamics teaching
computing How to setup a Gramble 14th April 2016 This is a Gramble, which of course is short for a GROMACS Bramble, or, in… Share this:Twitter Read More
New publication: Predicting antibiotic resistance in complex protein targets using alchemical free energy methods 26th August 202224th October 2022 In this paper, Alice Brankin calculates how different mutations in the DNA gyrase affect the… Share this:Twitter Read More
GPUs GROMACS 4.6: Running on GPUs 11th February 2014 I mentioned before that I would write something on running GROMACS on GPUs. Let’s imagine… Share this:Twitter Read More