[gmx-users] Fwd: Selecting the temperature distribution

[massimo sandal]

I don't understand your question. If you got the temperature distribution,
what else do you need?


2013/4/23 bharat gupta <bharat.85.monu at gmail.com>

> I have got the temperature distribution from the same link, but how to
> select evenly spaced temperatures for 56 replicas, I need to know that
>
>
> On Tue, Apr 23, 2013 at 6:21 PM, massimo sandal <devicerandom at gmail.com
> >wrote:
>
> > Look here: http://folding.bmc.uu.se/remd/
> >
> >
> >
> > 2013/4/23 bharat gupta <bharat.85.monu at gmail.com>
> >
> > > Dear gmx users,
> > >
> > > I am planning to run REMD for a peptide (406 atoms )+ solvent system
> > > (27639). The temperature range I selected is from 300 to 500. I want to
> > > select appropriate temp. for 56 replicas. I randomly chose some temp
> > > distribution and the exchange probabilities was 0.0. I know that we can
> > use
> > > the formula  Ti=T0*ek*i, but what is the value for i and K here ??
> > >
> > > --------
> > > BHARAT
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