[gmx-users] tip3p.gro

[sarbani chattopadhyay]

  hi,
    that means i need to equlibrate the spc216.gro . Is there any specific temperature at 
which it needs to be done? 
I should continue with the equlibrated spc216.gro and this will yield the same result as 
tip3p?
 
thanks in advance



On Thu, 15 May 2008 Xavier Periole wrote :
>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.
>
>-----------------------------------------------------
>XAvier Periole - PhD
>
>NMR & Molecular Dynamics Group
>University of Groningen
>The Netherlands
>http://md.chem.rug.nl/~periole
>-----------------------------------------------------
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