10 May
2014
10 May
'14
12:25 a.m.
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