Can anyone help with setting PME grid dimensions?

Shameer Pillarisetti @Shameer_Pillarisetti

05 May 2013 0 6K Report

I tried several values in this process

pme_order = 8 / fourierspacing = 0.48

pme_order =10 / fourierspacing = 1.20

try comparing to the the default:

pme_order = 4 / fourierspacing = 0.12

The pme grid dimensions need to be larger than pme_order (4) and in parallel larger than 2*pme_order for x and/or y

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