[gmx-users] How to modify the code g_hbond to analyze the non-traditional hydrogen bonds like C-H...O

Wu Chaofu xiaowu759 at gmail.com
Sun Jun 30 11:34:31 CEST 2013


Dear gmxers,
I want to analyze the non-traditional hydrogen bonds like C-H...O. To my
best knowledge, the g_hbond code can be used for traditional hydrogen bonds
but not for our case. One possible solution is to modify the g_hbond code
to include the non-traditional hydrogen bonds. However, the code is too
long and too complex to understand for me, a non-programmer. Could you give
me hints to cope with this, please? Thank you very much for any replies!
Yours sincerely,
Chaofu Wu



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