Page Not Found
Page not found. Your pixels are in another canvas.
Sitemap
A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.
Pages
About me
About me
Page not in menu
This is a page not in th emain menu
Posts
Latest GROMACS Bioconda release
Published:
GROMACS is a very powerful widly used piece of software for performing molecular dynamics, that is, using equations of motion to model systems with hundreds of millions of particles. Running an analysis using kind of software quickly and efficiently requires a lot of optimisations to the code for the specific hardware. Whilst GROMACS can be compiled for by users, not everyone will want to do this, and a compromise needs to be found.
Patching Conda
Published:
Occasionally, there is a need to patch the source code used in Conda. When it is not possible to fix faulty source code directly, you can patch it, by providing a patch file along side the conda build script. This can then modify and patch the source code just before you build the conda package.
Creating hardware optimised Conda Packages
Published:
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. GROMACS strongly benefits from hardware optimisation.
Building GROMACS in docker part 2
Published:
In the previous post we discussed how the gromacs docker container was originally made, and what option we went through to improve the workflow finally settling on GitHub Actions. In this part we will describe how we did this.
Building GROMACS in docker - part 1
Published:
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. GROMACS strongly benefits from hardware optimisation. One of the challenges of using GROMACS in a container is to support this hardware optimisation.
portfolio
Robin Long Permalink
Published:
This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.
Post Doc Permalink
Published:
This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.
publications
Paper Title Number 1
Published in Journal 1, 2009
This paper is about the number 1. The number 2 is left for future work.
Recommended citation: Your Name, You. (2009). "Paper Title Number 1." Journal 1. 1(1). http://academicpages.github.io/files/paper1.pdf
Paper Title Number 2
Published in Journal 1, 2010
This paper is about the number 2. The number 3 is left for future work.
Recommended citation: Your Name, You. (2010). "Paper Title Number 2." Journal 1. 1(2). http://academicpages.github.io/files/paper2.pdf
Paper Title Number 3
Published in Journal 1, 2015
This paper is about the number 3. The number 4 is left for future work.
Recommended citation: Your Name, You. (2015). "Paper Title Number 3." Journal 1. 1(3). http://academicpages.github.io/files/paper3.pdf
talks
Talk 1 on Relevant Topic in Your Field
Published:
This is a description of your talk, which is a markdown files that can be all markdown-ified like any other post. Yay markdown!
Conference Proceeding talk 3 on Relevant Topic in Your Field
Published:
This is a description of your conference proceedings talk, note the different field in type. You can put anything in this field.
teaching
Teaching experience 1
Undergraduate course, University 1, Department, 2014
This is a description of a teaching experience. You can use markdown like any other post.
Teaching experience 2
Workshop, University 1, Department, 2015
This is a description of a teaching experience. You can use markdown like any other post.