Hi, all,

I know this question might seem almost heretical because I am aware of the issues with implicit water md. I actually prefer explicit waters because I think it more realistically represents the water environment. However, the problem with explicit waters is that the calculation is time consuming. I am collaborating with industry and we need a relatively rapid way to do MD that doesn't require a computer cluster. Therefore, I was wondering if Gromacs 4.0 will be able to do implicit water calculations that will significantly speed up the calculation? I know the previous version didn't. Your input is much appreciated.

Best wishes,
Art Roberts
University of Washington
Seattle, WA

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