1) Provide tools to generate AMBER force field parameters for novel organic molecules
2) Provide a software platform for force field research
These programs analyze chemical structure and assign force field parameters suitable for the AMBER molecular mechanics/dynamics programs. OpenEye toolkits provide the cheminformatics infrastructure. These programs are intended to be replacements for the programs antechamber and parmchk distributed as part of AmberTools.
Dec 7, 2010