On Thu, Jun 18, 2009, Johan Sund wrote:
>
> We are trying to convert amber force field files to Q-format. Can anyone
> explain how to extract improper dihedrals from .off and .lib files?
The off or lib files don't contain any such information. Dihedral angle
*parameters* are contained in parm.dat files (such as parm99.dat). The atoms
involved are determined algorithmically, depending on the covalent bond
structure, and are written down in the prmtop file.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 06 2009 - 10:00:52 PDT
