From: David Case <>
Date: Sun, 5 Feb 2017 08:31:31 -0500

On Sat, Feb 04, 2017, Subashini .K wrote:
> When "solvateBox complex TIP4PBOX 0.1"
> How to add 4000 water molecules to the system using the same command?

If you want a periodic system with a given number of waters, use the
AddToBox command, not solvateBox.

If you want a non-periodic "shell" of waters with a given numbrer of waters,
there is no built-in solution. You could modify the buffer to add a few more
than your target, then manually remove some of them. But be sure to visualize
the result to make sure it is doing what you want.


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Received on Sun Feb 05 2017 - 06:00:04 PST
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