[gmx-users] a new GROMACS simulation tool

[Gabriele Lanaro]

I'd like to check it out too


On Wed, Oct 23, 2013 at 8:45 AM, Ehsan Sadeghi <esa38 at sfu.ca> wrote:

> Hi Kevin,
>
> It seems interesting. I would like to try it out. May I have an account?
>
> Best regards,
> Ehsan
>
>
>
> ----- Original Message -----
> From: "Kevin Chen" <fch6699 at gmail.com>
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Sent: Tuesday, October 22, 2013 7:34:10 AM
> Subject: [gmx-users] a new GROMACS simulation tool
>
> 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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