From: José Villalaín (jvillalain_at_umh.es)
Date: Mon Feb 17 2014 - 04:49:08 CST
I have been looking for a rationale to a question I have but until now I
have found no clear answer, neither in the list nor in the literature.
As far as I know, all works simulating the interaction of a protein with
a membrane are made using the NPAT ensemble, i.e., constant surface
area. However, wouldn`t be better to use NPT to allow the protein to
insert into the membrane ?. I suppose that it would be very difficult
for a protein to insert spontaneously into the membrane if the surface
lipids can not move completely free in the xy direction because they are
constrained by the total area they occupy.
Thanks a lot in advance for your opinions.
My very best regards,
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