[AMBER] appending to existing files

From: Giulia Sormani via AMBER <amber.ambermd.org>
Date: Mon, 18 Jul 2022 15:50:00 +0200

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

. 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,

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Received on Thu Aug 04 2022 - 13:34:35 PDT
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