[gmx-users] SPC model for water, is suitable for amber03 force field?

[Justin A. Lemkul]

shahab shariati wrote:
> Dear Justin
>  
> thanks for your attention
>  
> therefore, should I use tip3p.itp file from 
> http://chemistry.csulb.edu/ffamber/ and spc216.gro from top in gromacs 
> program?
> 

Per the link I provided earlier, any equilibrated, 3-point water configuration 
should do the job.  I believe the ffamber ports also contain a file called 
"ffamber_tip3p.gro" that can also be used, if you prefer, but really spc216.gro 
should do the job provided you equilibrate sufficiently with TIP3P parameters.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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