[gmx-users] Inorganic Material Simulations

ANAND AMITKUMAR Dharia adharia at berkeley.edu
Wed Aug 5 01:36:23 CEST 2015

Thanks for your quick response. We are thinking about using input
parameters from experimental data as a first approach. Is there
documentation on the syntax for the input files that we may be able to use
to get a better idea. I had downloaded a .itp file for a drude oscillator,
but was unsure of the formatting.

Thanks Again,

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