[gmx-users] sovation with tip3p
shima_arasteh2001 at yahoo.com
Wed Jul 11 11:36:52 CEST 2012
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.
Thanks in advance.
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