Re: [gmx-users] do we still have a do_dssp and dssp compatibility issue? thread: do_dssp failed to execute

2011-08-08 Thread César Ávila
I was dealing with the same situation. I am using the latest version of DSSP (April 2011). Neither gromacs 4.5.3 or 4.5.4 would work. After applying Pradip's patch, do_dssp worked for me. I would say that the change in flags is related to the fact that "In 2011 Maarten Hekkelman has written new so

[gmx-users] do we still have a do_dssp and dssp compatibility issue? thread: do_dssp failed to execute

2011-08-06 Thread Pradip Biswas
I encountered the exact same error with Gromacs-4.5 as posted by Sunita Patel back in October 2010 and could not find any solution in the gmx_thread. The error was: Failed to execute command: /home/path-to-dssp -na dd3sOJn3 ddZl9dcf > /dev/null 2> /dev/null I found that the do_dssp fails to fork