[gmx-users] tip3p.gro

[Xavier Periole]

On 15 May 2008 10:28:13 -0000
  "sarbani chattopadhyay" <sarbani_c84 at rediffmail.com> wrote:
>  
> Hi,
>   I am trying to run gromacs using charmm using the tip3p water model. I 
>need the tip3p.gro 
> file for this. Is there any way to get it?
> 
> I have a '.itp' file specificaly for tip3p with charmm but not for tip4p, 
>though tip4p.gro is 
> available . is there any way in which I can use the tip4p water model with 
>charmm?
What about taking the spc216.gro and equilibrate the box as tip3p?
> 
> Thanks in advance.

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XAvier Periole - PhD

NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
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