[gmx-users] Drude polarization, practical matters

Nicolás Marcelo Rozas Castro nicolas.rozas at ug.uchile.cl
Tue Mar 24 23:54:44 CET 2020


Hi everyone,
I'll be straight, my questions are:

1. It is possible to use Drude model in GROMACS 5.1.5?
2. How exactly this is done? If someone had an input file example (pdb
and/or itp) and can share it i'll appreciate.

Thank a lot!!

Nicolas Rozas Castro
Universidad de Chile


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