[gmx-users] SPC vs tip3p for water

Erik Lindahl lindahl at stanford.edu
Wed Mar 27 18:45:57 CET 2002


Senthil Kandasamy wrote:

> Are there any inherent advantages/disadvantages of using tip3p water 
> in lipid/protein/water simulations.
> Is it computationally more expensive than spc water?
>  


No, it's basically exactly the same water model but with very slightly 
different charges (optimized for different forcefield).
You can compare the files spc.itp and tip3p.itp in the topology directory.

Cheers,

Erik





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