[gmx-users] Drude polarizable simulation

[limingru]

Dear all,              I want to use GMX to simulate ethanol molecules interaction with macromolecular in a polarizable force filed. Whether the macromolecular and ethanol PDB files need adding Drude particles, if any, how to do? In addition, how to produce an ethanol.itp file for Drude2013 force field? Do the Drude2013 force field can be ran in the GMX v4.6.5? Thanks in advance.		Best wishes!

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