[phenixbb] removing Van der Waals repulsion between two atoms
ibdeno at gmail.com
Wed Jun 6 05:17:33 PDT 2007
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
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Braves gens, braves gens,
Je pousse en liberté
Dans les jardins mal fréquentés!
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