[gmx-users] genion II

Erik Lindahl lindahl at stanford.edu
Fri Mar 8 19:38:42 CET 2002

Hi Pedro,

This isn't really an answer to your questions, but when I need to insert 
new particles I usually use free energy runs with softcore interactions 
and "grow" the ion from a zero-type particle without charge or LJ 
interactions to the real atom type and charge of the ion.

This usually works well with larger molecules, like peptides and 
cholesterol, too.



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