[gmx-users] REMD:subsystems are not compatible.

[Mark Abraham]

Probably your set of state_.cpt files is mutually inconsistent after some
crash, because some files were written and some were not. Use gmxcheck to
find out the times. The good news is that the _prev.cpt files will allow
you to construct a self-consistent set.

Mark


On Fri, May 24, 2013 at 11:36 AM, suhani nagpal <suhani.nagpal at gmail.com>wrote:

> Greetings
>
> I'm running REMD with 96 replicas.
> It has run till 7.3 ns after extending it once using
>
> mdrun_mpi -s md_.tpr -multi 96 -replex 2000 -cpi state_.cpt -noappend
>
>
> And if i put to restart this again it shows the error:
>
> -------------------------------------------------------
> Program mdrun_mpi, VERSION 4.5.5
> Source code file: main.c, line: 249
>
> Fatal error:
> The 96 subsystems are not compatible.
>
>
> Kindly assist me regarding this.
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> Suhani
> SRF
> CSIR-IGIB, India
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