Protein moving out of PBC water box

From: Leyla Celik (lc_at_chem.au.dk)
Date: Tue Feb 08 2005 - 15:23:31 CST

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Hi,

I am running a NPT simulation with PBC and my protein moves out of the box. I am
using "wrapWater" and "wrapAll" options but the "wrapNearest" confuses me a
bit...

Could anyone help me?

Leyla

-- 
Leyla Celik
Ph.d. student
Department of Chemistry
University of Aarhus
Langelandsgade 140
DK-8000 Aarhus C
Denmark
Tel: +45 8942 3869
e-mail: lc_at_chem.au.dk

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