[gmx-users] SPC model hydrogen bonding

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Thu Dec 14 06:54:12 CET 2017


            Hello Experts,I did a simulation for bulk SPC water. I got water hydrogen bonding of ~1.7 per water molecule, for hydrogen bonding radius of 0.35 nm and 60 degrees, at 310K and 1 bar. Experimental data shows observed hydrogen bonding of 3.5-4.0 at 310K. Is my simulation wrong or SPC give similar values. Please give a suggestion. ThanksSent using Zoho Mail


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