[gmx-users] PME and atom-based cutoffs

[Malcolm Gillies]

Are atom-based cutoffs (rather than group based) used automatically when
coulombtype = PME ?

I want to make sure that I can dispense with defining proper charge
groups for my custom residue types, if I only plan to use PME.

cheers,

Malcolm
--
Malcolm Gillies <Malcolm.B.Gillies at anu.edu.au>
Postdoctoral Fellow, Computational Proteomics and Therapy Design Group,
John Curtin School of Medical Research, Australian National University