[gmx-users] water models tip3p.gro and spce.gro
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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