GROMACS version: most recent
GROMACS modification: Yes/No
I’m thinking about learning to use GROMACS but first I want to make sure it’s possible to use it for my goals. Can GROMACS be used to simulate a collection of several small organic molecules? For example, a droplet containing 50 cholesterol molecules in liquid state, in a box of vacuum? I can only find tutorials for one organic molecule, solvated.
Which force field would you recommend? Ideally I hope to use MMFF94 but I don’t think files for the MMFF94 force field are available online.
Michael Bijan Afghani