[gmx-users] Fwd: Selecting the temperature distribution

[massimo sandal]

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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