Antimicrobial peptide insertion of oligomers into E.coli type membrane

It contains 4 files corresponding to different biased peptide insertion all atom molecular simulations in GROMACS of oligomeric antimicrobial variants of SET-M33 (KKIRVRLSA), which exhibit an aliphatic index of 130; linear, dimer an tetrameric forms. Together with a more hydrophobic linear variant named L8, which presents an aliphatic index of 160,22. 01_system correspond to the initial .pdb, .ndx, .top, .itp and utilized forcefield. 02_protocol contains .mdp files of the whole simulations. 03_starting point contains the initial files for the production. And 04_production results correspond to the resulting files from the 150 ns biased insertion simulation (2 independent simulations).