[gmx-users] Hai friends

http://gromacs.5086.x6.nabble.com/file/n5010545/ss.png Can anyone suggest me to calculate the number of alpha-, 3-10, pi-helical hydrogen bonds in protein using gromacs. Is there any particular commands in gromacs, please let me know... Thank you... -- View this message in context:

Re: [gmx-users] Hai friends

If you want the residues in a particular secondary structure, you can use do_dssp, see http://manual.gromacs.org/current/online/do_dssp.html . g_hbonds can calculate hydrogen bonds. To separate the h-bonds by secondary structure, I suppose some scripting is needed. 2013/8/16 balu