[gmx-users] CHARMM Terminal Patches

[Felipe Merino]

Dear All,

This might be a bit out of topic for the list, but I have a small doubt 
concerning the CHARMM forcefield port for gromacs. In the original 
forcefield files the ACE and CT3 terminal patches contain CMAP terms. In 
their port to gromacs (residues ACE and NMA respectively) there is no 
mention of this term. Is the CMAP missing or am I overlooking something?

Cheers

Felipe

-- 
Felipe Merino
Max Planck Institute for Molecular Physiology
Department of Structural Biochemistry
Otto-Hahn-Str. 11
44227 Dortmund
Phone: +49 231 133 2306