[gmx-users] How to use TIP4P-ICE water model

mbhendle mbhendle at iitk.ac.in
Thu Jan 30 10:26:08 CET 2020


Dear all, 

I want to use TIP4P-ICE water model for my simulations, but inbuilt .gro
file of TIP4P-ICE is not available in Gromacs 2018. I tried alternate
method by solvating using TIP4P model and then by changing the "itp"
file of TIP4P in topology file with that of TIP4P-ICE. 

But the result of this simulation(RDF) is very different from that of
literature. Please suggest any alternate approach. 

Thanks & Regards, 

Mangesh Bhendale


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