TIP4P Simulation Scripts

From: Shiv Seshan (sseshan_at_uchicago.edu)
Date: Tue Jul 05 2022 - 18:10:42 CDT


I am using the TIP4P-2005 water model in my MD simulations. To confirm the accuracy of the model, I measured its self-diffusion coefficient. The value I obtained, 1.0 X 10^{-9} m^{2}/s, deviates significantly from the literature value of 2.2 X 10^{-9} m^{2}/s. I would greatly appreciate it if somebody could send me their TIP4P parameter file and their NAMD config file for an NPT production run.

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