MD Training

Molecular Dynamics Training

This five day course ran remotely using zoom will cover the basic knowledge and skills required to run molecular dynamics (MD) simulations using the NAMD package. Two hands-on session will help the participants to run their own simulations. If you wish to attend but you have other commitments we can discuss the dates of next Sessions at first Session. The schedule of hands-on sessions will depend on number of attendees.

Additionally Basics Linux and Introduction to HPC training will be offered to those who need some practice with Linux and never used any HPC before. It is planned for Thursday, 11th of November, 10am – 1pm.

The training will cover:

Basic Principles in MD theory                                                  Hands-on session 1

Wednesday, 26th of October, 10.30am – 1.30pm.                                                                                               Tuesday, 1st of November, 10.30am – 1.30pm.

For a more detailed description please click here

MD simulations in NAMD                                                         Hands-on session 2

Thursday, 27th of October, 1.30pm -4.30pm.                                                                                                       Wednesday, 2nd of November, 10.30am -1.30pm.

For a more detailed description please click here

Visualization in VMD

Friday, 28th of October, 10.30am – 1.30pm.

For a more detailed description please click here

The training delivered by Dr Karina Kubiak – Ossowska from ARCHIE-WeSt supporting team is available to staff and postgraduate students from ARCHIE-WeSt partner institutions. The number of attendees is limited, and the priority will be given to users of ARCHIE-WeSt. Places for users of other facilities will be subject to availability. The students who will complete the training (attendance on all 5 sessions and the report describing their own simulations) will get the certificate of the attendance worth 5 credits.

The training also includes additional Basic Linux and Introduction to HPC training (please see the form below)


Please complete the form below if you would like to attend.

Zoom meeting details will be e-mailed a few days before the training.