[gmx-developers] non-bonded kernels for water

Sikandar Mashayak mashayak at votca.org
Fri Jul 24 05:35:09 CEST 2015


I am wondering what non-bonded kernel is used for water simulations when
gromacs is built with None SIMD option? Is it plainC or water specific
highly optimized kernel? I understand that there are highly optimized
kernels specific to water and are they still used even if SIMD=None?

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