AMBER Archive (2008)

Subject: Re: AMBER: Temperature Range For REMD

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I don't think anyone has really determined an "ideal" temperature.
Recent work by Ron Levy shows that high temperature can make things
worse if folding is non-Arrhenius. We usually use a highest T of about
400-500K. Above that you can have stability problems and also
invert chiralities, etc, so make sure to use restraints.

On Thu, Mar 13, 2008 at 11:20 AM, tushar garud <tushar.garud07_at_gmail.com>
wrote:

> Hello sir,
> what should be the ideal temperature range for REMD of a peptide?
> And how to decide temperature for swapping (tswap)?
> peptide details: 32% helical,7% beta sheet (PDB_id:1psv)
>
> Thanks.
>

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