From: Monika Madhavi (monikamadhavi_at_gmail.com)
Date: Fri May 24 2019 - 08:43:59 CDT
Dear all,
I would like to mimic a situation where hydrogen bonds are not formed in
water. So I want to simulate water but hydrogen bonds should not be formed
(or should be weaker than normal). I would like to use TIP4P/2005 water
model for this purpose. I have a parameter file for TIP4P/2005 water. Is
there a standard way to switch off hydrogen bonds in TIP4P/2005 water?
If I reduce the charge on oxygen or reduce the charge difference between
hydrogen and oxygen, will that do the job? Should I consider about cutoff
distances also?
Thank you.
Best regards,
Monika
-- W.A.Monika Madhavi Lecturer (Probation), Department of Physics, University of Colombo.
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