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.
Thank you very much.
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
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 2 or
-ver 4 respectively. Note that support for DSSP version 4 is only available in later versions of gromacs.