VOTCA-CTP

[Cihat Güleryüz]

Hi  Officials

I m a new user of VOTCA, and İ am trying to calculate mobility. However, I have a few questions about software. Firstly, my system is an organo-Metallic framework. I use PDB format for indicating the crystal. Due to the metal one -atom, the system gives an error. The metallic is consisted of 2 letters (Cu, Zn..). Generally, the system is used the structure which is constituted of an atom( C, S, N...). Finally, how to solve this problem?

Thanks  very much

Cihat G.