Dear All amber users,
How to identify a water mediated hydrogen bond? Using ptraj, I listed out all possible hydrogen bond around drug binding site. I found
drug-OH...solvent 80% 2.7A...
solvent....HO-residueX 40% 3.0A...
However, how can I reconfirm the water-mediated hydrogen bond is in fact
drug-OH...solvent...HO-residueX
Or just the drug and residueX are link to different solvent molecules?
Best regards,
Cat
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Received on Wed Sep 02 2009 - 23:07:37 PDT
