[gmx-users] sovation with tip3p

[Peter C. Lai]

This is not really true. It is perfectly appropriate to use spc216.gro with 
the tip3p water model since any spacing differences will settle out during
npt equilibration anyway.

On 2012-07-11 02:28:52PM +0430, amir abbasi wrote:
> Hi,
> I had this problem too.
> unfortunately gmx not included tip3p model of water anymore.
> You have two ways.
> 1.using spc216 that gmx offers or
> 2.Buil your system in Ambertools (leap) and convert your .prmtop and
> .inpcrd files to .top and .gro
> if you persist on using tip3p water model i suggest you to pick second way.
> Regards,
> Amir
> 
> 
> Subject: [gmx-users] sovation with tip3p
> 
> 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.
> Thanks in advance.
> 
> 
> 
> 
> Sincerely,
> Shima
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