Sorry, I found this new atom type in gromacs version 3.3 (file ffG45a3.atp): CH2r 14.02700 ; cycloalkanic CH2-group ref. 1 Do you recommend to use this new type for 3 CH2 groups that are in a ring of 6 atoms, of which one is a Nytrogen? Can anybody tell me where I can find ref. 1? Thanks, Isabella