[gmx-users] Failed to execute command: Try specifying your dssp version with the -ver option.

[Erik Marklund]

Dear Atila,

Have you confirmed that your dssp is working?

Kind regards,
Erik
______________________________________________
Erik Marklund, PhD, Marie Skłodowska Curie INCA Fellow
Department of Chemistry – BMC, Uppsala University
+46 (0)18 471 4539
erik.marklund at kemi.uu.se<mailto:erik.marklund at kemi.uu.se>

On 28 Feb 2017, at 07:11, Andrew Bostick <andrew.bostick1 at gmail.com<mailto:andrew.bostick1 at gmail.com>> wrote:

Dear Gromacs users,

I did MD simulation of my peptide on Gromacs 5.1.3. I want to do do_dssp
analysis.

After using following command:

gmx_mpi do_dssp -f *.xtc -s *.tpr -n index.ndx -o -sc

Fatal error:
Failed to execute command: Try specifying your dssp version with the -ver
option.

According to the manuall for gmx do_dssp, I used following command:

gmx_mpi do_dssp -f *.xtc -s *.tpr -n index.ndx -o -sc -ver 2

But, again:

Fatal error:
Failed to execute command: Try specifying your dssp version with the -ver
option.

How to fix it?

Any help will highly be appreciated.

Best,
Atila
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