[gmx-users] Gromacs

[Ebert Maximilian]

Maybe you should start telling is which force field you are trying to use. GROMACS provides 15 different.

Max

> On Oct 6, 2015, at 1:51 AM, saranya <saranyahoney17 at gmail.com> wrote:
> 
> GROMACS users,
> 
> I was trying to perform a MD simulation of a system with a protein with Ag+
> metal ion but realized that GROMACS does not  have parameters for the Ag+
> ion. I tried to include the parameters in the ion.itp file but did not
> succeed yet. Does anyone knows the right procedure to introduce this ions
> into the file ions.itp? do we have to change anything more in order to
> GROMACS recognize the new ion?
> 
> With Regards
> 
> *Saranya Vasudevan,*
> 
> *Research Scholar,*
> 
> *Molecular Quantum Mechanics Laboratory,*
> 
> *Department of Physics,*
> 
> *Bharathiar University,*
> 
> *Coimbatore-46*
> -- 
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