Force Field atom type

The atom type used in the force field calculation. Each atom in the full system is assigned a force field atom type in the MM_CONNECTION_TABLE subkey block of the input. Force field atom types assigned to each atom must correspond to atom types defined in the Force field file. Force field atom types must be assigned to all atoms, even the QM atoms because the non-bonded interactions between QM and MM atoms are treated by a molecular mechanics potential.

 

Copyright      Terms of Use      Privacy Policy
Search:
Home
About
News
Sitemap
Contact
Why ADF?
Brochure
Demos
Trial Version
How to buy
Downloads
FAQ
Newsletters
Documentation
Community