Coarse-grained (CG) files for the paper "Assembly of two functionally-distinct protein import complexes in the outer membrane of plant chloroplasts"

Coarse-grained (CG) files containng supplementary Material for the following publication: "Assembly of two functionally-distinct protein import complexes in the outer membrane of plant chloroplasts" Sreedhar Nellaepalli, Domagoj Baretić, Astrid F. Brandner, Sybille Kubis-Waller, Duorong Xu, Ziad Soufi, Shuyang Cheng, Sireesha Kodru, Jun Fang , Ursula Flores-Perez, Vaishnavi Ravikumar, Pablo Pulido, Marjorie Fournier, Ivan Ahel, Syma Khalid , and R. Paul Jarvis. https://doi.org/10.1038/s41467-026-71676-6 Also corresponding to the following preprint: https://www.biorxiv.org/content/10.1101/2025.10.27.683105v1 The trajectories for the 3 replicas are deposited in the Molecular Dynamics Data Bank (MDDB) https://mdposit.mddbr.eu/#/id/MD-A00405/overview 1) MD_runs_files.zip Martini 2.2 coarse-grained files for the 3 replicas run with GROMACS v2021.4 (folders: run1, run2, run3): Each folder cotains: Final equilibrated CG structure used as starting point of production runs: eq2.gro Production molecular dynamics parameter input file: prod.mdp Gromacs full MD input file: prod.tpr Processed iInitial CG structure of production run (t = 0): run[X]_prod_t0.pdb Processed final CG structure at t = 10 μs : run[X]_prod_10us.pdb where [X] = replica number Processed structures involved dealing with pbc boundaries.