From: Francesco Pietra (
Date: Wed Mar 27 2013 - 02:21:13 CDT

I am looking for a comprehensive list of atom types for charmm27 ff to
use with namd/vmd/fftk. I was only able to find partial lists, such as
at <>

With inorganic molecules, such as NO, the selection of atom types is
not obvious (for me). With NO I placed in FFTK atom type NO2 for
nitrogen and atom type OM for oxygen (tentatively). H-F optimization
was carried out but I am still in doubt.


francesco pietra