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SuAVE: Surface Assessment Via grid Evaluation

SuAVE Tutorial

Lipid A bilayer 

The system is originally from Santos et al., where the authors studied the interaction between different LPS chemotypes from P. aeruginosa and the antimicrobial peptide Polymyxin B. The system is composed by 128 Lipid A molecules in each bilayer neutralized by Calcium ions. The trajectory comprises 101 frames from the system equilibration step. Details about this membrane can be found in the original paper.

Input files:

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