[gmx-users] Simple question about PME

Alexandre Suman de Araujo asaraujo at if.sc.usp.br
Fri Oct 24 20:34:00 CEST 2003


Hi GMXERS!!!!

A simple question about coulomb calculations:

Why I need to define rcoulomb when I use PME as coulomb type? I thougth 
PME and cutoff's were diferent things. Or GROMACS use cutoffs for SR 
coulomb calculations and PME for LR coulomb calculations????

Thank's!!!!!

-- 
Alexandre Suman de Araujo
asaraujo at if.sc.usp.br
UIN: 6194055
IFSC - USP - São Carlos - Brasil





More information about the gromacs.org_gmx-users mailing list