Gmx do_dssp not running

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1

GROMACS version: 2018.1
GROMACS modification: No

Hi, I would like to address an issue regarding the secondary structure analysis using Gromacs 2018.1. I have tried to use “gmx do_dssp” and i chose Protein as my group for analysis.

When I chose the group “Protein”, I found that the reading frame was not running. May I know what is the issue for this? I have attached the screenshot for the reference.

Screenshot (1211)
Screenshot (1211)1920×1080 199 KB

Thank you very much.

Sincerely,
Raymond

2

Hello Mr. Raymond,

I have found same error to find secondary structure analysis. Do you find any solution for this ?

If yes, please help me.

Thank you in advance

3

Typically this happens because of a mismatch between the version of the DSSP executable and the version gromacs is expecting.

Ascertain the major version number of the DSSP executable, then run gromacs do_dssp with argument -ver 1, -ver 2 or -ver 4 respectively. Note that support for DSSP version 4 is only available in later versions of gromacs.

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