[gmx-users] adding a metal ion to the force field
biobee at rediffmail.com
Tue May 24 09:09:25 CEST 2005
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.
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