Does anybody know, how we can minimize proteins containing iron sulfur
clusters? We tried it, but Insight/Discover needs potential for the
iron-atoms, which cannot be assigned by the Forcefield/Potentials-command.
We don't need to minimize the iron sulfur cluster itself (since we know
its structure), but the sorrounding protein. Even if we fix the iron
sulfur cluster (by constraint-commands) indight needs the Fe-potentials.
___ Bjoern Rabenstein
___/ '_> Fritz-Werner-Str. 5 Fon: +49-30-7057858
/ _/ / \ D-12107 Berlin Fax: +49-30-7051527
/_//_LL \_\ rabe at chemie.fu-berlin.de