Re: [AMBER] REMD maximum temperature

From: Carlos Simmerling <>
Date: Thu, 13 Jan 2011 13:34:09 -0500

in principle yes, but you need to watch it carefully. it's not clear whether
you are quoting an experiment (hard to know if simulation model reproduces
it, and furthermore what is meant by "stability"- the transition midpoint?
if so, it may still dissociate below that T since it is an ensembler
measurement) or if you quote simulation stability (unlikely that you know
this yet)

On Thu, Jan 13, 2011 at 1:30 PM, Sangita Kachhap <>wrote:

> Hello all,
> I have a protein DNA complex, at the C terminus there is 13 residues random
> coil, I want
> to use here REMD to convert random coil into alpha helix.This complex is
> stable
> at 363.15K, so
> can I use here this temperature 363.15K as maximum temperature to run REMD?
> With regard
> Sangita Kachhap
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Received on Thu Jan 13 2011 - 11:00:05 PST
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