Dear all, I have the itp file for a molecule (OH-[PPE]1-[PPO]2-[PPE]1-H it is a short surfactant), out of that itp, I am trying to create an itp file for a longer molecule in the form of OH-[PPE]2-[PPO]16-[PPE]2-H where the PPE and PPO parts are being repeated 2 and 16 times each. For each extra PPO, 10 atoms, 10 bonds 24 pairs, 19 angles and 4 dihedral entries would be added to the itp file. Doing that for a longer molecule is so tedious, so, I wonder if anybody has already a script or tools for doing that? I would be really appreciated. Regards, Alex -- Gromacs Users mailing list
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