[gmx-users] tip5p tip, not good, energy can only get -39, not -45

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jun 6 07:38:30 CEST 2012

On 5/06/2012 11:47 PM, MD wrote:
> HI All,
> I run the tip5p water model, i found the computed properties are not 
> good, e.g. energy.

Probably you haven't run it well enough or long enough.

> Can anyone know the problem? i need to get the surface potential, it 
> can get -1 V

Not unless they are able to read your mind :-)

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