[gmx-users] Fwd: Selecting the temperature distribution

[bharat gupta]

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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