[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ccp4bb] DL_Software Training 3-5 April and Hack Day 6 April @ QMUL

Dear all,

There will be a 3-day DL_Software training workshop at Queen Mary University of London from 3-5 April 2017, followed by a Hack Day on 6 April 2017.

The events could be of value to the community as it will showcase the CCP5 software framework and its application for bio-molecule force-field model set-up and other general complex and organic molecules such as drugs and polymers.  DL_FIELD and DL_POLY offer advantages in setting up multi-component, complex systems, including organic-inorganic interfaces, by utilising a wide range of force-field schemes and a large selection of MD techniques, not commonly available in other traditional, bio-simulation programs.  Access to modelling polymer and organic systems on the mesoscale is facilitated by DL_MESO via Dissipative Particle Dynamics.

The aim of the training workshop is to provide course material and training to the following molecular modelling packages – DL_POLY, DL_FIELD, DL_MESO and DL_CGMAP.  DL_MONTE and ChemShell will also be showcased on day 3 (5 April 2017), however, support for these packages will be limited during the tutorial sessions.

The events are an opportunity for current and potential users of DL_Software to learn what methodologies and algorithms these programs offer, how to use them efficiently and best apply to user specific needs.  The workshop also offers demonstrations and hands-on sessions giving users the opportunity to compile, run and experiment with the programs as well as interact with their developers.

For the full workshop description and registration, please, follow the link - https://www.ccp5.ac.uk/events/training_workshop.shtml .

The Hack Day is a one-day technical workshop aiming specifically for researchers who are interested to modify the supported DL_Software programs (DL_POLY, DL_FIELD, DL_MESO, ChemShell, DL_MONTE) and tailor model set up to their specific project needs.  For instance: model set-up, software porting, addition of new features, modification of the existing features, etc. (please, state your needs in the registration page).  In addition, the Hack Day is the best opportunity for those who may be interested to seek advice and help in simulation set-up and model development, work flow scripting, job submissions, etc.

For the Hack Day registration, please, follow the link - https://www.ccp5.ac.uk/events/hack_days/hack_days.shtml .


Ilian Todorov

Computational Chemistry Group
STFC Daresbury Laboratory
United Kingdom