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Multiple Fixed Regions for S.A.

Paul Hubbard phubbard at POST.ITS.MCW.EDU
Sun Dec 5 20:47:51 EST 1999


I would like to fix multiple regions during simulated annealing. The
following is a snippet from my input file. My gut tells me only the last
specified region will be fixed, although I know a simple check would be to
superimpose the before and after coordinates. However, whilst the script
is running I thought I'd better ask in case my suspicions are right. I
have tried various derivatives to include booleans but all of them
crashed. If I am wrong help would be appreciated. A thousand thankyous.

{===>} atom_fixed=(resid 63:230);
{===>} atom_fixed=(resid 245:495);
{===>} atom_fixed=(resid 509:678);
{===>} atom_fixed=(resid 1065:1495);
{===>} atom_fixed=(resid 1509:1678);


Paul Hubbard

Paul Hubbard
Department of Biochemistry
Medical College of Wisconsin
8701 Watertown Plank Rd.
Wisconsin. 53226

Tel: 414-456-4305
Fax: 414-456-6510

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