sudheer babu wrote:
Hi everybody,
I have read one review article(
dissertations.ub.rug.nl/FILES/faculties/science/1998/d.p.tieleman/c1.pdf
<http://dissertations.ub.rug.nl/FILES/faculties/science/1998/d.p.tieleman/c1.pdf>
) about membrane proteins tells about POPC alone simulations should
run in NPT but not in NVT conditions. Regarding protein run in both
some time NPT remain time NVT, till now fine . But when protein
inserted into POPC in which ensemble conditions have to follow? Can
anyone knows please tell me
Thanks in advance.
I would continue searching the literature. In the linked article you
provide, it is mentioned that NVT can induce artefacts, so that is
probably a good reason to avoid it for any system containing a lipid
bilayer. I have never seen a published membrane protein paper that used
NVT, although I certainly haven't read them all!
Another good article to read (among many) is: Kandt, et al. (2007)
Methods. 41: 475-488. Anything else by Tieleman and associates is good,
so starting your search there would be a reasonable choice.
-Justin
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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