Thanks Jason
On Fri, Jun 1, 2012 at 6:27 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Fri, Jun 1, 2012 at 4:15 AM, Soumya Lipsa Rath
> <soumyalipsabt.gmail.com>wrote:
>
> > Dear Amber Users,
> >
> > I am currently studying protein dynamics and was looking into a
> particular
> > loop movement in the protein. I had two different simulation
> temperatures,
> > at high temperature I could clearly observe the desired changes in the
> loop
> > within a short time frame of 10ns, however at 300K (i.e., room temp) even
> > after running for nearly 70ns, the structure remains relatively dormant,
> > with hardly any change. Can u please suggest some methods by which I can
> > overcome the current problem.
> >
>
> You could try replica exchange molecular dynamics:
> http://ambermd.org/tutorials/advanced/tutorial7/
>
>
> > Thanks in advance
> >
> > Soumya
> > **
> >
> > **
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> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Fri Jun 01 2012 - 20:30:02 PDT
