[gmx-users] sovation with tip3p

Justin A. Lemkul jalemkul at vt.edu
Wed Jul 11 12:14:09 CEST 2012

On 7/11/12 5:36 AM, Shima Arasteh wrote:
> Hi all,
> I'm going to do the step 3 in Justin's tutorial (Lysozyme in water) . In this step, the solvation is accomplished through this command:
> genbox -cp 1AKI_newbox.gro -cs spc216.gro -o 1AKI_solv.gro -p topol.top
> in which that spc216.gro is used. In first step I had used the TIP3P water model, here I'd rather to call TIP3P too. But there is not tip3p.gro in share/top .
> I would appreciate you if you give me any suggestion.




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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