On Sat, Jun 06, 2009, raja pandian wrote:
>
> This is the correct way to represent the dihedral angle...
>
>
> DIHE
> CR-YA-CU-SM 2 4.80 180.0 2. METAL LIGAND IS
> ZERO
Maybe I am missing something(?), but I don't agree with this. I would
strongly suggest that you use "0.00" in place of "4.80" above, if you want
to zero-out the dihedral term.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 07 2009 - 01:08:08 PDT
