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19	19	Mathematically speaking this process is an energy decomposition method, which starts with the calculation of the unbound part of the potential E (van der Waals, electrostatic interactions, solvent effects) through an MM/GBSA calculation:
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22		-[[image:image-20230111154750-1.png||height="263" width="536"]]
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24		-Since the first eigenvector contains most of the relevant energy information about the interactions in the system, we can approximate the matrix energy to the first eigenvector:
	22	+= Who has access? =
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27		-[[image:image-20230111154917-1.png||height="47" width="225"]]
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31		-= How to use the script =
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33		-Please see the attached documentation files in Drive repository.
	24	+Describe the audience of this collab.
34	34	)))
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1		-XWiki.emacasali

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