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