[gmx-users] DSSP installation on Ubuntu 12.10

Justin Lemkul jalemkul at vt.edu
Fri Oct 11 14:13:19 CEST 2013



On 10/11/13 8:12 AM, Mass wrote:
> Hi Justin,
> Sorry for the mistake,
> I typed in terminal
> do_dssp -f bLac_orig_md2.trr -s bLac_orig_md2.tpr -sc
> Secondary_Structure_analysis_original_dss.xvg -ssdump
>
> and got the following error,
>
> Program do_dssp, VERSION 4.6.3
> Source code file: /home/mass/gromacs-4.6.3/src/gmxlib/gmxfio.c, line: 524
>
> Can not open file:
> bLac_orig_md2.trr
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
> I can see the file bLac_orig_md2.trr in the directory
> any comments?
>

Check for typos.  If the file is actually there, has the right permissions 
(readable), and has that name, it is impossible to trigger the fatal error.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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

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