On Mon, May 12, 2003, Ioana Cozmuta wrote:
> > > Warning: Encounter 10-12 H-bond term
Note that there are not really any 10-12 bond terms, in all probability.
Amber uses this notation for atom pairs with no nonbonded interactions
(of any sort, 10-12 or 6-12).
>
> Ewald PARAMETER RANGE CHECKING:
> parameter skinnb+cutoffnb: (nonbond list cut) has value 0.10500E+02
> This is outside the legal range
> Lower limit: 0.00000E+00
> Upper limit: 0.89703E+01
> Check ew_legal.h
You might be able to get away with reducing your skinnb to a small value.
Otherwise, you need to make a bigger system...Amber is not set up to handle
very small unit cells (of the order of the cutoff).
...good luck..dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Mon May 12 2003 - 23:53:01 PDT
