[gmx-users] a new GROMACS simulation tool

Kevin Chen fch6699 at gmail.com
Tue Oct 22 16:34:10 CEST 2013

Hi Everyone,

I'm writing to let you guys know that we have developed a web-based tool MD
simulation tool for GROMACS.  It is a software package primarily developed
for biological MD and offers a huge amount of possible options and settings
for tailoring the simulations. Seamlessly integrated with newly developed
GUI interfaces, the tool provides comprehensive setup, simulation, analysis
and job submission tools. Most importantly, unlike other GROMACS GUI
applications, user can actually run really simulations using the dedicated
HPC resources. That been said, there's no proposal and installation
required.  This tool could be a great fit for both teaching and research
projects. Users inexperienced in MD can work along prepared workflows, while
experts may enjoy a significant relief from the tedium of typing and
scripting. As for now, we'd like to invite people to participate in user
testing on this newly developed tool. Let me know if you'd like to try it
out. We will set up an account for you.  

Best Regards,

Kevin Chen, Ph.D.
Information Technology at Purdue (ITaP)
West Lafayette, IN 47907-2108

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