OZGE ENGIN wrote:
Hi,
First of all, thank you for your attention. I used g_hbond in order to analyze
hydrogen bonds formed;but, I need a more detailed information. The command that
you mentioned is capable of giving information about hydrogen bonds formed in
each frame. However, I want to investigate the exact donor and acceptor groups
in each frame. In this respect, I converted the xtc file to a pdb file to get
all of the coordinates of both water and protein molecules.
What should I do?
Gee I sound like a broken record. Have you looked at "man g_hbond" to
see all of its options?
Mark
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