[gmx-users] tip3p.gro

[Nicolas Sapay]

Remember that CHARMM do not use the regular TIP3P model but a modified 
one with Lennard-Jones parameters on the hydrogens... So, before using 
th regular TIP3P or the TIP4P model, you have to be sure they are 
compatible with the parameters you want to use.

Nicolas

sarbani chattopadhyay 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?
>
> Thanks in advance.
>
>
>
> Shaadi
>
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