[gmx-users] problems with running gmx do_dssp
Dr. Puspita Halder
puspita at cse.iitkgp.ac.in
Tue Dec 4 12:30:23 CET 2018
I am using Gromacs 5.1.4 version for running the simulations of my protein and its trajectory analysis. Now, I am getting some error messages by running the gmx do_dssp utility as follows:
Program gmx do_dssp, VERSION 5.1.4
Source code file: /home/install/gromacs-5.1.4/src/gromacs/gmxana/gmx_do_dssp.c, line: 592
DSSP executable (/usr/local/bin/dssp) does not exist (use setenv DSSP)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
I have exported the DSSP path as mentioned above but its still showing the same messages.
Could someone tell me please what I should do to run do_dssp successfully? Another question is, will I be able to get the percentages of different secondary structures of my protein throughout the trajectory by using the same and how?
Looking forward to hear from you.
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