adjascent
positions...to get a reflection of the real system.
Hope that helps in some way.
Stephan Watkins
Original-Nachricht
> Datum: Tue, 18 Sep 2012 02:52:46 +
> Von: Christopher Neale
> An: "gmx-users at gromacs.org"
> Betreff: [gmx-users]
t; Von: Christopher Neale
> An: "gmx-users@gromacs.org"
> Betreff: [gmx-users] Regarding Pulling simulation:To study the base flipping
> of the thymine
> You can do this with the pull code. To do so, you need to define some sort
> of order parameter for which you have the base flip
You can do this with the pull code. To do so, you need to define some sort of
order parameter for which you have the base flipped in at one extreme and the
base flipped out at the opposite extreme. There are lots of ways to do this
and, unfortunately, there is no way to know what the best order
Hi all,
I am studying a system which consists of DNA duplex 20 base pairs. Actually
I am interested in studying the base flipping of the thymine.
I have the crystal structure of extrahelical DNA in which thymine is out
side the helical structure. I want use pulling simulations to bring this
base
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