[gmx-users] counterions?

Samuel C Flores samuel.flores at yale.edu
Sun Jul 16 18:33:00 CEST 2006


Hi Guys,


Can anyone tell me how I should go about adding counterions in GROMACS?
Right now I am adding just enough counterions to make the net charge equal
to zero.  However I believe I should be adding a counterion for each charged
atom on the surface, according to some algorithm.  Is there some program out
there, similar to Amber's CION, for deciding how many counterions to supply?
I think I can use genion to actually place them, right now I just want to
know how many I need..



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