RashmiKumari / g_mmpbsa

MM-PBSA method for GROMACS. For full description, please visit homepage:
http://rashmikumari.github.io/g_mmpbsa/
GNU General Public License v3.0
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Containerised deployment option #20

Open CharlieLaughton opened 4 years ago

CharlieLaughton commented 4 years ago

Hi,

As part of a project for the UK Biomolecular simulation community we are developing a library of containerised popular applications, and would like to include g_mmpbsa in this. It's called pinda and you can see more here. In essence, it's a bit like Conda or pip, but based on Docker/Singularity containers.

If you would like to know more, please get in touch.

Regards, Charlie