Peptide in Membrane Environment: loosing water from one leaflet

From: Praveen Agrawal (
Date: Mon Apr 20 2009 - 05:53:23 CDT

I am simulating small protein helix (42 amino acids) in membrane
environment. Till now it has completed some 50ns of simulation. It
seems that one of the leaflet is loosing water to the other leaflet
resulting in thickening of leaflet and thinning of the other. Is it
normal? (It seems so if I reason that because of periodic box
condition the two leaflets are anyway joined). I am new to membrane
simulation and any guidance would be really helpful.

Best Regards,

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