[AMBER] Peptides moving out of the water box

From: Ilias Patmanidis <patmanidis.ilias.gmail.com>
Date: Wed, 21 May 2014 15:47:39 +0200

Dear AMBER users,

I was running MD simulations of a system with two peptides. After the
simulation, I noticed that the system was moving towards and over the
boundaries of the cell and the generated trajectory had the two peptides in
different locations of the water box.

Is there any way to move one of the peptides to its relative position
regarding the other peptide? Or could you suggest me a way to avoid this
result in future simulations?

I thank you in advance.

Greetings,
Ilias
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Received on Wed May 21 2014 - 07:00:02 PDT
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