[gmx-users] water mediated hydrogen bond

Raj princecrusial05 at gmail.com
Thu Nov 29 16:18:42 CET 2012


Hi all, I would like to measure the water mediated hydrogen bond between the
ligand and the protein. When I searched the forum I could able to get the
link
(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/Scripts/plot_hbmap.txt)
for the script with which we can get the above mentioned objective. But I'm
not sure how to use it
Can any one help me with what data I should have before running the script
and how I can get such a data and also how shuld I use the data as a input
for the script?. Thanks in advance 



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