On Sun, Jun 05, 2011, hanlu0366 wrote:
>
> I am simulating a Molecular Crystal by AmberTools 1.5 & Amber 11. I
> established a pdb of supercell sucessfully by methods in Amber turials
Have you tried to follow Tutorial A13? That should help a lot in setting up
crystal simulations. You would ordinarily *not* use setBox in LEaP, but the
more specialized preparation tools listed there.
...good luck....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 05 2011 - 07:30:02 PDT
