Masses in topology files for coarse-grained molecular dynamics simulations
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2.2 years ago

Hi, I'm working on CG MD simulations and need some help with topology files. I found them on the Martini website, but they've listed the same mass value (72.0000) for all CG beads. (link)

I thought that was wrong, but I found that some publications have also used these files for their analyses. (Lipidbook, topology file).

Could someone please explain why this is so? Shouldn't the masses be obtained by adding up the corresponding beads from atomistic topologies, using the provided mapping?

Thank you for your time.

molecular dynamics topology simulation lipid • 383 views

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