From: Shiv Seshan (sseshan_at_uchicago.edu)
Date: Tue Jul 05 2022 - 18:10:42 CDT
Hello,
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.
Thanks,
Shiv
This archive was generated by hypermail 2.1.6 : Tue Dec 13 2022 - 14:32:44 CST