>I am guessing the issue a bit from the brief title, let me know if
>installing the external program required to run dssp as described below
>is addressing the issue or if this is something that used to work in
>GROMACS 2019 and suddenly stopped working, in which case I would need
>quite a bit more information.
>Dssp in gromacs relies on an external program to run which you can find
>here: http://swift.cmbi.ru.nl/gv/dssp , just installing GROMACS does not
>suffice.
Thanks Christian!
I post some information as following:
This "gmx do_dssp" tool of gmx2020 will report an error "Segmentation fault" and no xpm and xvg file generated. I tesetd 2.0.4 and later version of dssp. The gmx2018 and gmx 2019 can work correctly.
Then I checked gmx_do_dssp.cpp code and found some parts of matrix changed a lot, I think this code may have a problem.
Thanks
Yujie Liu
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