10 October 2018 0 4K Report

The ligand is a charged polymer containing approx 700 atoms. I want to generate parameters (itp file) for my polymer in order to perform MD simulations using Gromacs. The ligand is too big for automated parameter generation webservers such as Swissparam and PRODRG. How can I get the forcefield parameters for simulating such molecules as the general forcefields don't recognise them?

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