From: João Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Wed Feb 07 2018 - 10:44:57 CST
We are pleased to invite you for the first edition of our "Hands-On"
Workshop series dedicated to QM/MM
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.
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
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 jribeiro_at_ks.uiuc.edu +1 (217) 3005851
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