[lammps-users] How to add new atom type in CVFF

Hi,

I am new to lammps.
I am trying to run MD on a system containing BF4.
I create my system in Cerius2 and made .car and .mdf files using CVFF.
But CVFF does not have atom type for boron, so getting errors.
I tried to make the atom type of boron to n4, and thought I could change it afterwords to boron parameters, but it did not work.

Need some help.

Thanks
Mousumi

Dear Mausumi,
Why do you want to add the parameters in CVFF? Why dont you just put the parameters in the the lammps data file after conversion? That way you will be sure that you have put write parameters. I am saying this as yours seem to be only a two atom type system with one bond type and 1 angle type.

Best Regards,
Vikas