From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Sat Oct 31 2009 - 15:17:58 CDT
in my understanding if you set pme grid sizes, i.e. the number of mesh
points in each direction, then pmegridsize is set to box size divided
by the number of mesh points in that direction.
On Sat, Oct 31, 2009 at 6:46 AM, DimitryASuplatov <genesup_at_gmail.com> wrote:
> in the manual it is said that
> "If a grid size is set, then the >>*grid spacing must be at least
> PMEGridSpacing<< *(if set, or a very large default of 1.5)."
> Is this a typo (in between >><<) ?
> Anyway, if I set only the PME size and comment out the PMEGridSpacing
> parameter it is set to 1.5:
> Info: PME GRID DIMENSIONS 128 128 128
> Info: PME MAXIMUM GRID SPACING 1.5
> Is it good or bad? Should I Set PMEGridSpacing to 1 even if PME XYZ are set
-- Roman Petrenko Physics Department University of Cincinnati
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