[gmx-users] excutable dssp

Justin Lemkul jalemkul at vt.edu
Wed Oct 31 16:53:39 CET 2018

On 10/31/18 10:22 AM, marzieh dehghan wrote:
> Dear all
> I installed dssp on the gromacs version 5.1.4 and setenv as the following
> command:
> *export dssp=/usr/local/bin/gromacs/do_dssp*
> dssp was started to analyzed the protein structure, but after several
> minutes, we confront to this error:
> *failed to execute command, try specifying your dssp version with the -ver
> option*
> I am not ensure the export path is correct.

It's not. The variable should be DSSP, not dssp, and should point to the 
dssp binary, not do_dssp. You're pointing do_dssp to itself.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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