[gmx-users] make_ndx for do_dssp

Paymon Pirzadeh ppirzade at ucalgary.ca
Wed Oct 6 20:19:38 CEST 2010


Hello,
I want to check the secondary structure of protein at particular residues. Since dssp needs all main chain atoms, does the following command at the make_ndx prompt makes the correct index file? 
 5 | r 1 | r 10-11 |r 14-17 | r 20-21 | r 26-32 | r 42 | r 45 

(Main chain atom of particular residues).
regards,

Paymon




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