You need to use -O to overwrite. Else you cannot append to same out, nc,
rst files.
Use new names and later you can join them using cpptraj (for nc)
On Mon, Jul 18, 2022, 08:50 Giulia Sormani via AMBER <amber.ambermd.org>
wrote:
> Hello to everyone,
> I would like to restart a simulation after a power crash appending the new
> data on the existing files.
> I use the command
> pmemd.cuda -i NVT.in -o NVT.out -p topol.prmtop -c NVT.restart -r
> NVT_new.restart -x NVT.nc -inf NVT.info
>
> where
> . NVT.in is the input file used from the beginning
> . NVT.restart is the restart file from previous sim
> . NVT.out, NVT.nc, NVT.info are the files to which I would like to append
> the data
>
> However, I get the error:
> Error on OPEN: NVT.out
>
> If I change the name of the files everything goes fine, however it would
> be simpler for me to avoid concatenating files at the end.
>
> Many thanks,
> Giulia
>
>
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Received on Thu Aug 04 2022 - 13:34:38 PDT
