[gmx-users] Groamacs for metal ion

Mark Abraham mark.abraham at anu.edu.au
Fri Sep 9 12:37:45 CEST 2011

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. 
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