On Tue, Dec 03, 2002, Numan Oezguen <numan_at_bohr.utmb.edu> wrote:
>
> Here is my anal.in:
> =================================================================
> Magnesium interactions
> 1 0 0 0 70 1
> 2 62.6413970 79.2115252 58.4662127 0
> 1 0 2 1 9999 1
> 999.0 2.0 1.2 1.0
> 1 -1.0E40 -1.0E40 -1.0E40 -1.0E40 -1.0E40 -1.0E40 -1.0E40 -1.0E40 -1.0E40
> ENERGY
> GROUP
Try leaving out the GROUP card above; it's not a part of the "group" input;
> Mg
> RES 299
> END
> Protein
> RES 1 298
> END
> END
> STOP
..hope this helps...dac
--
==================================================================
David A. Case | e-mail: case_at_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 Wed Dec 04 2002 - 08:31:52 PST
