Re: [phenixbb] switch off anti-bump restrain

Hi Agnieszka, To control the anti-bumping interactions simply assign altlocs "A" and "B" to the water molecules. The rules for the interactions are very simple: " " interacts with "A", "B", "C", etc. (any non-blank) "X" interacts with " " and "X" (where "X" is any non-blank) but not any other non-blank Ralf ----- Original Message ----

From: Agnieszka To: PHENIX user mailing list Sent: Wed, December 8, 2010 4:59:26 AM Subject: [phenixbb] switch off anti-bump restrain

Hi,

I have double conformation of my residue. There is a water molecule that interacts with conformation A. In the same time the water is very close to conformation B. During the refinement the water is pushed out. I try to switch off the site refinement of the water and some atoms of conformation b but it didn't work out for me. Do you know how can I switch off the anti-bump restrain of this two guys?

Thank you

Agnieszka Kiliszek _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb