Wrap ions?

From: Rabab Toubar (rtoubar_at_yahoo.com)
Date: Tue Dec 09 2008 - 10:56:07 CST


I am running equilibration after solvation and autoionization. By the end of the equilibration, the ions are leaving the water box. I was thinking of something to keep them inside - something like the "wrap" command, but the UG lists only wrap water or wrap all.

Is there a "wrap ion" command? If I used "wrap all" would this keep the protein AND the ions inside the box?



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