Depends what's in the _prev files.
The original problem might be http://redmine.gromacs.org/issues/801, in
which case you should try 4.5.6
On Fri, May 24, 2013 at 1:01 PM, suhani nagpal wrote:
> Hello Mark
>
> Thanks for the suggestions.
>
> I used gmxcheck on my _prev.cpt files, they all show
Hello Mark
Thanks for the suggestions.
I used gmxcheck on my _prev.cpt files, they all show last time step - 7.3 ns
but when I resume remd with _prev.cpt files , it's starting from 0 ps.
Did i miss something ?
On Fri, May 24, 2013 at 3:37 PM, Mark Abraham wrote:
> Probably your set of state_
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
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_m
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