[gmx-users] water-medited hydrogen bonds - %exist hydrogen bonds

[leila karami]

Dear Justin

very thanks for your reply.

I used for script two times:

1) between proten and interfacial waters.

2) between dna and same water molecules.

using what I said above, can I obtain what water molecules form
water-mediated hydrogen bond between protein and dna?

if my way is wrong, please guide me about that.

any suggestion will highly appreciated.

-- 

Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
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