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

Justin Lemkul jalemkul at vt.edu
Wed Apr 3 13:00:30 CEST 2013

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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