[gmx-users] Ions or neutral atoms?

Semen Esilevsky yesint4 at yahoo.com
Fri Jul 11 08:02:01 CEST 2003

Dear gmx users,
Probably it's a stupid question, but...
If there is, say, Rb atom in the forcefield
definition, is it treated as ion ar os neutral atom?
How to see which charge is assigned to Rb and how to
force GROMACS to treat it as ion?


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