Hi, I am trying to use Thole potential to implement polarization effects with drudes. I know NAMD and CHARMM have clear protocols, but I am unable to find much information on how it is implemented in Gromacs. Can someone tell me where I can find an example file to understand the use of [polarization] and [thole_polarization] in the topology file?
Thanks, Sai -- *"Every sentence I utter must be understood not as an affirmation but as a question." - Niels Bohr*
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