[AMBER] Building a slab between two vacuums?

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Thu, 10 Jun 2010 15:13:15 +0200

After having equilibrated a system (cube) I would like to place this between to empty spaces (vacuum) and follow the equilibration process between the two "phases".

I thought you could change the .rst box coordinates and it worked quite well, however, then you only get liquid in one phase and empty space in the other.

Is there a way to expand the box in the form of empty space on both sides of the already equilibrated cube?

Best regards
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Received on Thu Jun 10 2010 - 06:30:03 PDT
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