[phenixbb] removing Van der Waals repulsion between two atoms

Miguel Ortiz-Lombardía ibdeno at gmail.com
Wed Jun 6 05:17:33 PDT 2007

Dear all,

I've a question regarding phenix.refine.
Is it possible in phenix.refine to remove repulsion between a couple
of atoms to see to what
distance they refine when unrestrained?

I'm thinking in something like what in CNS/XPLOR one would do by setting:

   	 interaction (selection1) (selection2) weights * 1 vdw 0. elec 0. end

I've been searching the web for a solution to this question, but
haven't come up with anything.
Sorry if I missed it!

I would appreciate your help.

correo-e: ibdeno at gmail.com
Je suis de la mauvaise herbe,
Braves gens, braves gens,
Je pousse en liberté
Dans les jardins mal fréquentés!

Georges Brassens
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