CCL: Announcement: AMBER Workshop - London, Mon Jul 6 to Fri Jul 10.

 Sent to CCL by: "Ross  Walker" [rcw/./sdsc.edu]
 REGISTRATION DEADLINE: June 15th - This coming Monday!
 <<<please feel free to forward to anyone you feel may be interested in
 this workshop>>>
 Dear All,
 You are cordially invited to attend an AMBER Molecular Dynamics training
 workshop to be held
 at Imperial College London from Mon July 6th to Fri July 10th 2015. This
 workshop is being
 hosted jointly by the EPSRC UK National Service for Computational Chemistry
 Software, the
 AMBER Development Team and NVIDIA Inc.
 Details and registration information can be found here:
 http://www.nsccs.ac.uk/AMBER2015.php
 Scope of the workshop:
 This five day workshop will introduce researchers in the field of molecular
 simulations to the
 broad collection of computational toolsimplemented in the AMBER and AmberTools
 software
 packages for molecular dynamics (MD) simulations. It will consist of a
 combination of lectures
 and hands on tutorials that provide comprehensive introduction to molecular
 dynamics and
 molecular simulation focusing on  practical application of version 15 of the
 AMBER MD
 software. The workshop consists of a series of lectures followed by hands-on lab
 sessions that
 cover the use of AMBER and AmberTools and the theory behind it. There will be
 opportunities
 for discussion with thetutors for advice with specific research problems.
 List of provisional topics:
 	 Introduction to force fields and molecular dynamics.
 	 Overview of AMBER and AmberTools and its programs.
 	 Introduction to setting up and running simulations.
 	 Visualizing AMBER simulations.
 	 Overview of AMBER Force Fields / Solvent Models etc.
 	 Introduction to implicit solvent and binding energy calculations.
 	 Advanced analysis techniques.
 	 Designing good simulation projects.
 	 Dealing with non-standard residues.
 	 What to do if there is no crystal structure.
 	 Statistical mechanics for free energy calculations.
 	 QM/MM coupled potential simulations.
 	 Advanced sampling methods.
 	 Lipid bilayer simulations.
 	 Parallel and GPU accelerated molecular dynamics simulations.
 All students will receive a USB pen drive which contains all software and
 materials used in the
 workshop.
 Workshop Instructors:
 	 Professor Ross Walker (San Diego Supercomputer Center, UC San Diego, USA)
 	 Professor Ian Gould (Department of Chemistry, Imperial College London, UK)
 	 Professor Thomas Cheatham (Department of Pharmacology, University of Utah,
 USA)
 Target audience:
 Attendees are expected to be graduate students and postdocs as well as young
 lecturers who
 have limited experience in molecular dynamics simulations and/or the AMBER and
 AmberTools
 software packages and would benefit from an introductory workshop that also
 covers
 advanced topics and the latest features in the AMBER software, including GPU
 acceleration.
 The workshop will also be of use to those looking to convert from a different MD
 simulationpackage such as NAMD, CHARMM, Gromacs or Lammps.
 Dates of workshop:
 Mon  July 6th to Friday July 10th 2015
 Eligibility and Organization:
 This workshop is open to everyone.
 The event is organized by the NSCCS at Imperial College, thus any questions may
 be directed
 to Dr. Helen Tsui (helen.tsui{=}imperial.ac.uk) and not to the invited
 speakers/tutors.
 Registration fee:
 Registration is free of charge for UK students and academics with the EPSRC
 covering the
 workshop costs. Non-academics and non-UK residents will be required to pay a
 registration
 fee of 150 GBP to cover costs.
 Poster Session:
 Although not mandatory participants are encouraged to bring posters highlighting
 their work
 for a poster session that will be held one evening during the workshop. A total
 of two NVIDIA
 K40 graphics cards will be given as prize to the best posters.
 Application deadline:
 Monday 15th June 2015*
 *The number of places for this workshop is limited. If there is an unprecedented
 demand, we
 may have to restrict the number of people from the same research group. Please
 note that
 application may close early if all places have been filled before the deadline.