computing Running GROMACS on an AMD GPU using OpenCL Philip Fowler, 10th July 2015 I first used an Apple Mac when I was eight. Apart from a brief period… Continue Reading
molecular dynamics New Publication: Alchembed Philip Fowler, 12th June 2015 In much of my research I’ve looked at how proteins embedded in cell membranes behave. An… Continue Reading
molecular dynamics Installing GROMACS with MPI support on a Mac Philip Fowler, 5th December 2014 GROMACS is an optimised molecular dynamics code, primarily used for simulating the behaviour of proteins…. Continue Reading
molecular dynamics A simple tutorial on analysing membrane protein simulations. Philip Fowler, 3rd September 2014 I’m teaching a short tutorial on how to analyse membrane protein simulations next week at… Continue Reading
GPUs GROMACS 4.6: Running on GPUs Philip Fowler, 11th February 2014 I mentioned before that I would write something on running GROMACS on GPUs. Let’s imagine… Continue Reading
GPUs GROMACS 4.6: Scaling of a very large coarse-grained system Philip Fowler, 23rd October 2013 So if I have a particular system I want to simulate, how many processing cores… Continue Reading