[gmx-users] PME and atom-based cutoffs

Malcolm Gillies malcolm.b.gillies at anu.edu.au
Wed Dec 10 02:14:00 CET 2003

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.


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

More information about the gromacs.org_gmx-users mailing list