[gmx-users] What water topology is worth using?

Xavier Periole X.Periole at rug.nl
Wed Dec 17 19:41:17 CET 2008


On Wed, 17 Dec 2008 20:55:28 +0300
  DimitryASuplatov <genesup at gmail.com> wrote:
> Hello,
> 
> what solvent topology do you use in your simulations? I`ve always used
> spc and had no problems with it. Though recently I`ve heard that tip3p
> is better. What do you suggest? What do you use?
Don't worry this comment was probably based on personal/dogmatic believe
and not on actual data. TIP3p and SPC are pretty much of same quality.

SPC/E is probably better though.
> Thanks
> SDA
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-----------------------------------------------------
XAvier Periole - PhD

- Molecular Dynamics Group -
Computation and NMR
University of Groningen
The Netherlands
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