[gmx-users] changing ewald_rtol
johnny.lu128 at gmail.com
Tue Nov 18 19:39:00 CET 2014
from online manual:
"*ewald-rtol (1e-5)* The relative strength of the Ewald-shifted direct
potential at *rcoulomb* is given by *ewald-rtol*. Decreasing this will give
a more accurate direct sum, but then you need more wave vectors for the
Is it ok to use ewald-rtol=1e-9 for Amber99SB-ILDN forcefield?
Will the sum in reciprocal space become very inaccurate?
Or this will just make the simulation run slower?
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