Re: Denied permission on dcd file preventing simulation

From: Axel Kohlmeyer (
Date: Mon Oct 18 2010 - 10:06:45 CDT

On Mon, Oct 18, 2010 at 10:32 AM, Christian Jorgensen
<> wrote:
> Hi,
> I am trying to do a second run on a simulation of a solvated dipeptide. I have successfully run 2 simulations on both of two of the three protonated states of the peptide, but for the third protonation state during the second (restart) run I encounter the following problem:
> Reason: FATAL ERROR: Couldn't open DCD file /run2_solvatedpeptide.dcd: Permission denied
> Charm++ fatal error:
> FATAL ERROR: Couldn't open DCD file /run2_solvatedpeptide.dcd: Permission denied
> I have checked to see that the respective files generated in the first run are where they have to be.

have you checked their permissions and ownership, too?
is the file system writeable?
do you still have sufficient disk quota?


> Any help would be appreciated
> Christian Jorgensen

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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