Saeid Akbarshahi wrote:
Deer users.
I want to ignore the hydrogen bonds in water.
In analysis, or during MD?
My system consists of ions and water molecules.
Is there any way ignore hydrogen bonding of water ?
Depends on the answer to the question above. During MD, no. During analysis
with g_hbond, you can analyze whichever hydrogen bonds you want.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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