[gmx-users] water model
Peter C. Lai
pcl at uab.edu
Mon Jul 9 20:02:20 CEST 2012
For CHARMM the typical water model is TIP3P, although I tend to use TIPS3P
since it's been reported on the mailing list to give better interactions with
bilayers. (Also easier to pass by picky reviewers at the expense of ns/day,
The following thread may be helpful too:
On 2012-07-09 10:49:57AM -0700, Shima Arasteh wrote:
> Dear gmx friends,
> Is there the best water model for each force fields? Which options are supposed to be noticed in applying the best water model.
> I need to tell you that I apply C36 in my simulations.
> Thanks in advance.
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Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
pcl at uab.edu | Birmingham AL 35294-4461
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