[gmx-users] output of dssp

Justin A. Lemkul jalemkul at vt.edu
Sun Apr 18 17:59:42 CEST 2010

Hsin-Lin wrote:
> Hi,
> I used do_dssp_d to analyze my data.
> The commend was written in this way:
> do_dssp_d -f a.gro -s a.tpr -n a.ndx -sc dssp.xvg There are three output,
> #ddXB2RJu.1#, ss.xpm and dssp.xvg, be generated. 
> What is the first output file? 

A backup file of one of the intermediates in the calculation.  It is unimportant.

> It is generated automatically but with nothing inside.
> And in my analysis I only need xvg file.
> How can I do to get xvg output without the others accompanied?

You can't.  The ss.xpm file is a default output file, as is the .xvg file.  If 
you don't need it, just delete it.  It's not like it would save any time to not 
write it out, the calculations are simply very slow for the DSSP algorithm.


> Hsin-Lin


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list