[gmx-users] do_dssp for many peptides

Dear all, I have a problem with applying do_dssp to a system containing 24 peptides with 15 residues and 124 atoms per peptide (solvent removed, deshuffled). I observe the following behavior: (1) When I try to apply dssp to all peptides, do_dssp says There are 1668 residues in your

Re: [gmx-users] do_dssp for many peptides

Volker Knecht wrote: Dear all, Does anyone have an idea what is going wrong? No, but it would straightforward to write a script that used trjconv while iterating through a set of index files that extract the coordinates of just one peptide at a time, write that to an intermediate .xtc