From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Sat Oct 31 2009 - 15:19:36 CDT
sorry, i meant pmegridspacing, not pmegridsize
On Sat, Oct 31, 2009 at 4:17 PM, Roman Petrenko <rpetrenko_at_gmail.com> wrote:
> 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:
>> Hello,
>>
>> 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
>> explicitly?
>>
>> Thanks
>>
>>
>
>
>
> --
> Roman Petrenko
> Physics Department
> University of Cincinnati
>
-- Roman Petrenko Physics Department University of Cincinnati
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