Going Large: tools to simplify running and analysing large-scale MD simulations on HPC resources

Event Details

* Registration for this event closes on 20 November *

HECBioSim makes it easy for any UK-based biosimulation scientist to get significant amounts of time on ARCHER, the UK National High Performance Computing Service. Used appropriately, this can make an enormous impact on the quantity and quality of the research that can be done. But learning how to use HPC resources, and analysing the huge amounts of data they can produce, can be a significant challenge.

In this course you will be introduced to Longbow (, a Python tool created by the HECBioSim consortium, that allows you to use primary molecular dynamics packages (AMBER, GROMACS, LAMMPS, NAMD) with ease from the comfort of your own desktop, and pyPcazip (, a flexible Python-based package for the analysis of large molecular dynamics trajectory data sets.

Note: attendees do not need to be current users of Archer to attend this course. The software packages being taught can be used on any HPC and temporary one-day accounts will be created on Archer for all delegates..

Registration for the workshop will be from 09:30-10:00 and the course will finish at 17:00.  A full programme will be available soon.

Start Date: Wednesday, 16th December 2015
End Date: Wednesday, 16th December 2015

Price: £0
Fee Info: Registration for this workshop is FREE. However, you should note that if you register and then do not attend, or if you cancel your registration after 12:00 on Wednesday 9 December, you will be charged a cancellation fee.

Spaces Available

27 remaining out of 40 spaces

View list of delegates

Venue Details

Brunner-Mond Training Suite
A56, STFC Daresbury Laboratory
Venue Website

Accommodation Details

Accommodation is NOT included with your registration. If you require accommodation you should make your own arrangements. A list of local hotels is available to download from this page (see above). Prices are only an indication and should be checked before booking.
For further information contact Meeting Administrator