lipopolysaccharide (LPS) with Martini 3 in the CHARMM-GUI for building vesicles

[Eduardo1ra]

Dear all,

I am trying to build a bacterial outer membrane vesicle (OMV) using the Martini 3 force field in the CHARMM-GUI (Martini maker - vesicle). The inner layer is composed by a mixture of POPE, POPG and CDL, whereas the outer layer is composed b LPS. However, the Martini 3 is not available for building vesicles in the CHARMM-GUI. Could you help me or suggest me how to build this vesicle using the Martini 3 FF? The LPS was parameterized in the paper: J. Chem. Theory Comput. 2024, 20, 4, 1704–1716. Thanks in advance.