[phenixbb] No bonded contacts

Pavel Afonine pafonine at lbl.gov
Fri May 9 17:25:35 PDT 2014


Hi Mark,

> Is there a straightforward way to turn off non-bonded restraints between 2 residues? I see the restraints in the .geo file.  Thanks.

you can asigne them diferent altloc identifiers and then they will not 
see each other via non-bonded interactions.
If these two residues in question are symmetry mates then there is a 
keyword for this: custom_nonbonded_symmetry_exclusions .

Also, I wonder why you want to do this?

Pavel



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