[ 1 ] - Modified insane.py script:

• insane-jan2023.py

Note:

The original 'insane.py' script was created by:

• Tsjerk A. Wassenaar, Helgi I. Ingólfsson, Rainer A. Böckmann, D. Peter Tieleman, and Siewert J. Marrink
• Paper: Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

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[ 2 ] - Acylated amino acid parameters (update to Martini 2.2 ff) are included in the following files:

• martini_v2.2_aminoacids_lipidtails.itp
• martinize2.6_lipidtails.py

Each of the above files are updated with the following acylated amino acid parameters according to Yoav Atsmon-Raz and D. Peter Tieleman, 2017 (J. Phys. Chem. B)

• CYF = CYS Farnesyl
• CYG = CYS Geranylgeranyl
• CYP = CYS Palmitoyl
• GMN = N-terminal GLY Myristoyl

Note:

The original 'martini_v2.2_aminoacids.itp' topology was created by:

• D.H. de Jong, G. Singh, W.F.D. Bennet, C. Arnarez, T.A. Wassenaar, L.V. Schafer, X. Periole, D.P. Tieleman, S.J. Marrink.
• Paper: Improved Parameters for the Martini Coarse-Grained Protein Force Field
• Original topology: http://cgmartini.nl/images/parameters/ITP/martini_v2.2_aminoacids.itp

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[ 3 ] - N-acetyl glucosamine-Asparagine parameters (update to Martini 2.2 ff) are included in the following files:

• martini_v2.2_aminoacids_lipidtails_ASG.itp
• martinize2.6_lipidtails_ASG.py

where ASG = N-acetyl glucosamine-Asn

Each of the above files are updated with ASG parameters published by Shivgan et al., 2020 (JCIM)

Note:

The original 'martinize.py' script (version 2.6) was created by:

• D.H. de Jong, Jaakko J. Uusitalo, Tsjerk A. Wassenaar.
• Original script: http://cgmartini.nl/index.php/tools2/proteins-and-bilayers/204-martinize