beginners tutorial including installation

[Shefin B]

Hello all,

This is shefin from india. Im new to md simulation. But somehow I have completed the md simulation and analysis of protein ligand complex.  Now I wish to do the gmx_MMPBSA calculation.  Can someone suggest me a beginner tutorial.

Thank you and Kind Regards

Shefin

[Mario Ernesto]

Hi and welcome to our community 🙂... You can start with this simple tutorial:

https://valdes-tresanco-ms.github.io/gmx_MMPBSA/examples/Protein_ligand/ST/

Make sure to have a good understanding on how MMPB(GB)SA method works: 

https://valdes-tresanco-ms.github.io/gmx_MMPBSA/introduction/

And also how gmx_MMPBSA works:

https://valdes-tresanco-ms.github.io/gmx_MMPBSA/howworks/

Hope this helps!

--
You received this message because you are subscribed to the Google Groups "gmx_MMPBSA" group.
To unsubscribe from this group and stop receiving emails from it, send an email to gmx_mmpbsa+...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/gmx_mmpbsa/3f380cf7-a58d-44a6-9d78-c4a9081b0fc8n%40googlegroups.com.
For more options, visit https://groups.google.com/d/optout.