[gmx-users] Hbonds

Raghunadha Reddy Burri burri at heineken.chemie.uni-dortmund.de
Wed Jul 14 16:05:04 CEST 2004

Dear All,

I have multiple peptides in my simulation box with water, I am interested to 
analyze hydrogen bonds between peptide backbones.

while using g_hbound I am getting "No Donors found, Fatal error: Nothing to be 

anyone give me suggestion to create group of atom triplets or any another way.

Thank you very much 

Looking for positive reply



Select a group: 4
Selected 4: 'Backbone'
Select a group: 4
Selected 4: 'Backbone'
Calculating hydrogen bonds in one group of 92 atoms
Found 0 donors and 32 acceptors in group 'Backbone'
Going to allocate 0 kb of memory,  and that's only the beginning
No Donors found
Fatal error: Nothing to be done

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