AMBER: dynamics

From: Germán Sciaini <>
Date: Sat, 08 Jan 2005 16:51:30 -0300

Hi ambers users,

I am doing a dynamics of one iodide anion and 216 ammonia molecules. I am
using the keyword setBox ----- vdw to create the box. I would like to know
if the dynamics could carry out any problem when the iodide is at the edges
of the box (for instant, problems in the iodide´s solvation shell).
Is it better use the keyword solvateBox in order to put the iodide in the
box´s center?

Thanks in advance


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Received on Sat Jan 08 2005 - 20:53:00 PST
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