[gmx-users] problem regarding dssp

[Tsjerk Wassenaar]

Hi Sangeeta,

>   export DSSP=/home/debjani/dssp
This is needed if your shell is bash

>   setenv DSSP /home/debjani/dssp
This is needed if your shell is (t)csh

Now, /home/debjani/dssp points to the file dssp and not to the directory, right?

>   do_dssp -s md.tpr -f traj.xtc

Could you send the output of the command? That is likely to be more informative.

Cheers,

Tsjerk


-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623