I have been working on the adsorption of oil molecules on a solid surface. For this purpose I have to prepare a crystal slab (preferably in materials studio). I have generated the structure. But now I don’t know how can I convert this file (I have exported it into pdb) to generate all the forcefield parameters. I tried some online servers but they failed. Is there any script like m…

GROMACS version: 2020.5 GROMACS modification: No Here post your question I am currently trying to run a md simulation of a protein binding to a membrane and I can’t find where to start. I currently have these input files (and other CHARMM-Gui outputs for membrane only development) Protein.pdb Membrane.pdb MembraneIndex.ndx Membrane.gro MembraneTopol.top Lipid1.itp Lipid2…