<P>
hi,<BR>
that means i need to equlibrate the spc216.gro . Is there any specific temperature at <BR>
which it needs to be done? <BR>
I should continue with the equlibrated spc216.gro and this will yield the same result as <BR>
tip3p?<BR>
<BR>
thanks in advance<BR>
<BR>
<BR>
<BR>
On Thu, 15 May 2008 Xavier Periole wrote :<BR>
>On 15 May 2008 10:28:13 -0000<BR>
> "sarbani chattopadhyay" <sarbani_c84@rediffmail.com> wrote:<BR>
>> Hi,<BR>
>> I am trying to run gromacs using charmm using the tip3p water model. I need the <BR>
tip3p.gro file for this. Is there any way to get it?<BR>
>><BR>
>>I have a '.itp' file specificaly for tip3p with charmm but not for tip4p, though tip4p.gro is <BR>
available . is there any way in which I can use the tip4p water model with charmm?<BR>
>What about taking the spc216.gro and equilibrate the box as tip3p?<BR>
>><BR>
>>Thanks in advance.<BR>
><BR>
>-----------------------------------------------------<BR>
>XAvier Periole - PhD<BR>
><BR>
>NMR & Molecular Dynamics Group<BR>
>University of Groningen<BR>
>The Netherlands<BR>
>http://md.chem.rug.nl/~periole<BR>
>-----------------------------------------------------<BR>
</P>
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