[gmx-users] Hai friends
devicerandom at gmail.com
Fri Aug 16 18:33:43 CEST 2013
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 <balu2011 at vit.ac.in>
> 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...
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