do_dssp does not work(gmx 2020 and 2020.1)
This "gmx -do_dssp" tool will report an error "Segmentation fault" and no xpm and xvg file generated. I tesetd 2.0.4 and later version of dssp. Then I checked gmx_do_dssp.cpp code and found some parts of matrix changed a alot, I think this code may have a problem. Hope developer can solve this issue.
Fix segmentation fault in do_dssp
A matrix would be initial allocated with zero size, so that a
following call to increase the size of one element would lead to memory
corruption on a subsequent try to set a value in the matrix.
Mark Abraham wrote:
Can you share an input that works, e.g. with 2019.x please?
I uploaded a sample of xtc and tpr file, when I use gmx do_dssp -f md.xtc -s md.tpr by using gmx 2020 or 2020.1 will have error "Segmentation fault", but using other gmx version, such as gmx2018 or gmx 2019 is correct.