Fixed atoms in SMD

From: khalil ghafarian (
Date: Mon Oct 08 2012 - 05:22:25 CDT

Hi, I want to pull out a molecule from water box with SMD,  but when I implemented  SMD ,I see the whole water box move with my molecule too , how can I keep water box fixed ? I have used PBC  and I specified SMD atoms exactly in reference file.

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