[gmx-users] error while executing do_dssp program

Justin Lemkul jalemkul at vt.edu
Wed Dec 31 17:38:56 CET 2014

On 12/31/14 10:53 AM, Nizar Masbukhin wrote:
> hi gromacs user,
> when i try to compute secondary structure using do_dssp program, the error
> message appear:
> "Program do_dssp_mpi, VERSION 5.0.2
> Source code file: /home/user/gromacs-5.0.2/src/gromacs/fileio/futil.cpp,
> line: 863
> Fatal error:
> Permission denied for opening ddhCTh1r
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors"
> i have installed dssp program, and i have set the environment DSSP to the
> path where i install DSSP.
> could anyone please explain to me whats wrong?

You don't have write permission in the directory where you are executing your 



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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