[gmx-users] dssp_index file

Justin Lemkul jalemkul at vt.edu
Mon Aug 25 18:46:36 CEST 2014

On 8/25/14, 10:08 AM, Ahmet yıldırım wrote:
> Dear users,
> I want to analysis the change of a helix in secondary structure during
> simulation time but I get the following error. Why am I getting this error?
> do_dssp -f traj.xtc -s topol.tpr -o ss-helix4.xpm -sc ss-helix4.xvg -n
> helix4.ndx
> Select a group: 19 (helix4 includes 7 atom)
> Fatal error:
> Failed to execute command: /usr/local/bin/dssp -na ddUYNXx9 dd1AmuF4 >
> /dev/null 2> /dev/null

/usr/local/bin/dssp either doesn't exist, is the wrong version (use do_dssp 
-ver) or is not executable.



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


More information about the gromacs.org_gmx-users mailing list