[gmx-users] restart simulations

[Mark Abraham]

Hi,

If you want to append (because gmx mdrun -append is on by default), then
mdrun will check that your output files are unchanged. Either leave them
unchanged, or tell mdrun that you are not appending with gmx mdrun
-noappend. Does the error message that I presume you saw suggest the latter?

Mark

On Fri, Jan 11, 2019 at 11:13 AM Rita Paiva Melo <
ritamelo at ctn.tecnico.ulisboa.pt> wrote:

> Dear all,
>
> although it is not necessary to restart the simulation, we need to have
> the trajectory file  in the folder where the MD runs ?! Can we use a
> shorter trajectory file?
>
> Thank you!
> Rita Melo.
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