[gmx-users] replica exchange data in cpt file

[Mark Abraham]

This is, unfortunately, normal. The REMD implementation was never updated
when the checkpointing mechanism was introduced, so this data is not
checkpointed.

Mark

On Sat, Mar 16, 2013 at 12:07 PM, francesco oteri <francesco.oteri at gmail.com
> wrote:

> Dear gromacs users,
> I ran a REMD on a HPC cluster equipped with a queue system.
> For this reason I carried out the  simulation dividing it in chuncks.
> Because of this, each run started using the .cpt file from the previous
> one.
>
> The simulation ran fine, but I noticed that the informations regarding
> attempts
> and probabilities are not stored so in each .log the data restart from 0
> like
> a new simulation.
>
> Have I done something wrong or is it a known (except to me) issue?
>
> Francesco
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