[gmx-users] water models tip3p.gro and spce.gro

[Justin Lemkul]

On 4/3/13 6:26 AM, Ahmet yıldırım wrote:
> Dear users,
>
> I will run MD simulations of all water models in Gromacs. I need spce.gro
> and tip3p.gro files. How can I find them?
>

These don't exist within Gromacs.  Since SPC, SPC/E, and TIP3P are all 3-point 
water molecules, just use spc216.gro and equilibrate using the desired model.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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