[gmx-users] A simple question about reaction-field

[Alexandre Suman de Araujo]

I´m performing a simulation of an ion in water (TIP3P) using reaction
field. I define energy_grps = ion sol in my .mdp file.

When I use rlist = rcoulomb, no LR terms appear in g_energy list.
When I use rlist < rcoulomb, these LR terms appear.

So, the LR terms obtained using reaction field is the contribution of
implicit solvent between rlist and rcoulomb or the contribution of
implicit solvent beyond rcloumb, as is said in GMX manual and other
reference texts?

Thanks

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