[gmx-users] Groamacs for metal ion

[Mark Abraham]

On 09/09/11, om prakash <ombioinfo at gmail.com> wrote:

> 
> Dear friends
>  
> I am trying to gromacs simulation with the metal (Zn) binding protein. But here, i am not able to make itp file for the metal..I am preety new to this field...anyone please suggest me, what i should do?
> 

 
You should endeavour to use the same solution that someone else has already published on a similar protein. Preferably, read about several attempts and choose what looks like it works best. The details will vary with the form of the solution. 
 
Mark
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