[gmx-users] a new GROMACS simulation tool

[Mark Abraham]

Hi,

Sounds very interesting. Can I have a test account, please?

The Lindahl group has some related work going on at
http://copernicus-computing.org/, automating large-scale simulation
workflows. I'm not sure yet whether we have any synergies! :-)

Cheers,

Mark


On Tue, Oct 22, 2013 at 4:34 PM, Kevin Chen <fch6699 at gmail.com> wrote:

> 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
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>