[gmx-users] Trimer dynamics

navaneeth krishnan n2kn at rediffmail.com
Tue Oct 5 10:26:27 CEST 2004


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sir,
i ve a protein with 3 subunits 
if these 3 subunits located in the membrane in particular distance and forming pore in the membrane
but if i run the trimer dynamics these subunits moving in the different orientation 
i need to maintain that symettry of the trimer throughout the dynamics 
can u help me
Navaneeth

***************************************
On Mon, 04 Oct 2004 David van der Spoel wrote :
>On Mon, 2004-10-04 at 14:31, navaneeth krishnan wrote:
> > i want to maintain my trimer structure symettry throughout the dynamics how i can proceed this by gromacs
> > navanee
>please be more specific.
> >
> >
> > *************************************
> > On Mon, 04 Oct 2004 David van der Spoel wrote :
> > >On Mon, 2004-10-04 at 11:29, navaneeth krishnan wrote:
> > > >
> > > >   respected Gromacs people
> > > > i m starting to research about trimer protein molecular dynamics
> > > > already i ve the xperience in monomer dynamics
> > > > in trimer case i want to know how to maintain the 3 subunits during dynamics. how i can constrain 3 subunits.
> > >what do you mean constrain?
> > >
> > >
> > > > related research people may u xplain
> > > > Awating For ur reply
> > > > Navaneeth
> > > >
> > > >
> > > >
> > > >
> > > > ______________________________________________________________________
> > > > _______________________________________________
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> > >--
> > >David.
> > >________________________________________________________________________
> > >David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> > >Dept. of Cell and Molecular Biology, Uppsala University.
> > >Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> > >phone:	46 18 471 4205		fax: 46 18 511 755
> > >spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
> > >++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> > >
> > >
>--
>David.
>________________________________________________________________________
>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
>Dept. of Cell and Molecular Biology, Uppsala University.
>Husargatan 3, Box 596,  	75124 Uppsala, Sweden
>phone:	46 18 471 4205		fax: 46 18 511 755
>spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
>


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