Samuel C Flores
samuel.flores at yale.edu
Sun Jul 16 18:33:00 CEST 2006
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..
-------------- next part --------------
A non-text attachment was scrubbed...
Size: 2974 bytes
Desc: not available
More information about the gromacs.org_gmx-users