GROMACS version: 2024-dev-20221227-70b6999d1b-unknown
GROMACS modification: Yes/No
I’m having an issue with running dssp on my trajectory. the “do_dssp” command returns a “‘do_dssp’ is not a GROMACS command.” But the standard “gmx dssp” command seems to work and gives a dssp.dat file. However, the optional “-num” command is not recognized as valid input. I am running a 2024 version of gromacs so I assumed this would be build-in. Any advice on why the -num option is not working? Or how can I get the “do_dssp” command working?