"Hands-On" Workshop on QM/MM Simulations at Urbana, IL, April 5-7, 2018

From: João Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Wed Feb 07 2018 - 10:44:57 CST

Dear researcher,

We are pleased to invite you for the first edition of our "Hands-On"
Workshop series dedicated to QM/MM
<http://www.ks.uiuc.edu/Research/qmmm/> simulations.
The "Hands-On" Workshop series <http://www.ks.uiuc.edu/Training/Workshop/>is
organized by the NIH Center for Macromolecular Modeling and Bioinformatics
of the University of Illinois at Urbana-Champaign.

Location: Beckman Institute, University of Illinois, Urbana-Champaign, 405
N Mathews Ave, Urbana, IL 61801
Workshop Dates: April 5-7, 2018
Application Deadline: March 3rd, 2018

If you are interested in attending or in getting more information, please
visit the web page: *http://www.ks.uiuc.edu/Training/Workshop/Urbana2018/

Please feel free to share this announcement with your contacts.

Best wishes and hope to see you at the workshop.

João Ribeiro

Workshop Description:

This workshop will cover Quantum Mechanics (QM), Molecular Mechanics (MM),
and Hybrid QM/MM simulations with NAMD
<https://www-s.ks.uiuc.edu/Research/namd/>. The participants will have the
opportunity to interact and learn from the developers of the recent QM/MM
<http://www.ks.uiuc.edu/Research/qmmm/> suite in NAMD/VMD. For QM
simulations, the packages MOPAC <http://openmopac.net/> and ORCA
<https://orcaforum.cec.mpg.de/>will be employed. The participants will have
the opportunity to use the recent developments in VMD
<https://www-s.ks.uiuc.edu/Research/vmd/> and QwikMD
<https://www-s.ks.uiuc.edu/Research/qwikmd/>. The molecular calculations
proposed during this workshop will be executed using the computing power
delivered by the Amazon Web Servers
<http://www.ks.uiuc.edu/Research/cloud/> cloud

The workshop is designed for advanced MD users conducting research projects
in computational and/or biophysical fields seeking to extend their
expertise in MD and QM/MM simulations.

Enrollment is limited to 25 participants.

João Vieira Ribeiro
Theoretical and Computational Biophysics Group
Beckman Institute, University of Illinois
+1 (217) 3005851

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