[AMBER] Post_analysis_Amber_tools_suggestion

From: Antonio Amber Carlesso <antonio.amber.carlesso.gmail.com>
Date: Sun, 18 Nov 2018 15:09:51 +0100

Hi all,

By reading these two interesting articles, I am wondering if similar
analysis are manageable using Amber tools as well..



We are interested for example in investigate through time evolution of the
MD the electrostatic, “hydrophobic” interaction and number of contacts
between a series of protein-protein molecular object..

And do you believe is more “efficient” dealing with PBC “issues” directly
with GROMACs or even the PBC re-imaging should be fixed with Ambertools?

Thank you for your possible suggestions!

[image: analysis.PNG]

Figure. (D) Peptide-target recognition map.(E and F) Dynamic electrostatic
interaction energy, on the peptide and protein side, respectively.

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(image/png attachment: analysis.PNG)

Received on Sun Nov 18 2018 - 06:30:04 PST
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