[gmx-users] do_dssp for coarse-grained trajectory
sandysubram at yahoo.com
Tue Apr 21 06:54:40 CEST 2015
I have a trajectory with the protein represented by C-Alpha atoms only. I was wondering if I could use ' do_dssp ' for predicting the secondary structure for this trajectory. When I tried to do so ( do_dssp -f trajca.xtc -s reference.pdb -o dssp_traj ) I got the following error -
Fatal error : Failed to execute command : Try specifying your dssp version with the -ver option
I use GROMACS 4.6.5 and have set the environment for executing DSSP correctly. The reference pdb file (-s *.pdb) is also correct. This command worked smoothly when I executed it for all-atom trajectories but when I want to execute for coarse-grain trajectory, it threw me the above error.
Please help.Thanking you.
More information about the gromacs.org_gmx-users