Hello users, I have a question about the Gromacs parameterization. By using which water model (SPC / SPC/E / TIP3P etc) and their variants, the protein force field parameters in GROMACS were optimized ? Since a few of the properties of proteins depends upon the water models we employ (for instance, SPC water model over estimates the diffusion properties of the proteins by a factor of approx. 2). it is necessary to know which water model needs to be used in the simulation. Thanks in advance. Ram.
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