From: chemistry-request at
To: chemistry-request at
Date: Wed Jan 3 18:20:08 2018
Subject: 18.04.05 "Hands-On" Workshop on QM/MM Simulations at Urbana, IL April 5-7, 2018
We are pleased to invite you for the first edition of our "Hands-On" Workshop series dedicated to QM/MM simulations. 
The "Hands-On" Workshop series are organized by the NIH Center for Macromolecular Modeling and Bioinformatics of the University of Illinois at Urbana-Champaign. 
Our first QM/MM Workshop will be held at the Beckman Institute, in Urbana - IL, from 5-7 of April 2018.

This workshop will cover Quantum Mechanics (QM), Molecular Mechanics (MM), and Hybrid QM/MM simulations with NAMD. 
The participants will have the opportunity to interact and learn from the developers of the recent QM/MM suite in NAMD/VMD. 
For QM simulations, the packages MOPAC and ORCA will be employed. 
The participants will have the opportunity to use the recent developments in VMD and QwikMD.
The molecular calculations proposed during this workshop will be executed using the computing power delivered by the Amazon Web Servers cloud services.

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.

Apply to attend at
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