Hello all.

I have sucessfully used atype dytype keyword in updating angles and dihedrals. As Kang mentioned a bond can induce more than one angle type. We can utilize the set keyword to change the angle types based on bonded neighbours.

For example consider the bond between i and j then the angles introduced will be of the form

i+2 i j

i+3 i j

i j j+2

The same goes for dihedrals

i+1 i j j+1

i j j+1 j+2

…

…

The same applies for partial charges.

One has to be little bit creative (and careful) to accomplish this in lammps code. I have done this and it is possible.

Thanks

Arun