[gmx-users] question about gmx do_dssp

YanhuaOuyang 15901283893 at 163.com
Fri Aug 4 16:20:17 CEST 2017

   I have run a MD simulation and used gmx do_dssp to calculate the secondary structure content. The output files are md_dssp.xpm and scount.xvg. I want to know that each residue  belongs to what kind of secondary structure for each frame. But the scount.xvg output file only have the number of residues with each secondary structure and the total secondary structure count as a function of time. So,  can I get the information on "each residue belongs to which kind of secondary structure for each frame" to draw a figure of " amino acid vs secondary structure" ?

Best regards,

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