[gmx-users] adding a metal ion to the force field

[balamurugan r]

Dear Sir,
        I have certain doubts with regard to adding a metal ion to the force field.  Is it really enough 
1.  to create a .itp file 
2.  add the mass and charge details in the itp file 
3.  and to add the name and mass of the metal ion in the atp file of the force field.  

Will this suffice to define the metal ion in the frce field.



Balamurugan.R
Bioinformatics centre,
Pondicheery University,
Pondicherry.
 
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