I am trying to carry DSSP analysis on 200 ns md simulations. However, I am constantly getting this error. I even tried to perform on different computer build, resulting into the same error but at different timesteps. Any help on this is highly appreciated?
command:
do_dssp -f protein.xtc -s protein.tpr -o protein.xpm -sc protein.xvg -v
Gromacs version: 4.6.5
DSSP version: 2.0.4
225 residues were classified as hydrophobic and 239 as hydrophilic.
Reading frame 12000 time 24000.000
-------------------------------------------------------
Program do_dssp, VERSION 4.6.5
Source code file: /build/buildd/gromacs-4.6.5/src/tools/gmx_do_dssp.c, line: 669
Fatal error:
Failed to execute command: Try specifying your dssp version with the -ver option.
Iris Nira Smith: Thank you very much. Somehow, I was missing that again and again. It's working now.
Pankaj Mishra: I have encountered the same problem as you, and the above method does not solve it, and the following error occurs:
Program: gmx do_dssp, version 2018.4
Source file: src/gromacs/gmxana/gmx_do_dssp.cpp (line 668)
Fatal error:
Failed to execute command: Try specifying your dssp version with the -ver
option.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
my command line is : gmx do_dssp -s md_0_1.tpr -f md_0_1_noPBC.xtc -tu ns -v -ver 2
can you help about it thank you
- Badges
- Science topic