how to create a topology file

marrink-lab / martini-forcefields

Collection of interaction and molecule parameters for the Martini3 force-field

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how to create a topology file #6

Closed farmacyst99 closed 11 months ago

farmacyst99 commented 1 year ago

I am a student & I am using the martini 3 parameters for the lipidome tutorial that you have given on your website. I am unable to make a topology file for the dppc lipid. How do I make one? What should be the format of the topolgy file.

ricalessandri commented 1 year ago

Here's the topology for the current Martini 3 DPPC lipid model: https://github.com/marrink-lab/martini-forcefields/blob/784591ebdc91d762ed4df986c4650546c938f776/martini_forcefields/regular/v3.0.0/gmx_files/martini_v3.0.0_phospholipids_v1.itp#L506-L562