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Hello Martin--
>
> Is there a way to change the scale / weight of a subset of my dihedral
> restraints in the middle of a calculation?
not easily. One thing you could do is use a variable for the force
constant you wish to change (in the dihedral restraints table), then
reset and reload the restraints after scaling that force constant. Your
restraint entries would look like this:
reset
assign (resid 1 and name c ) (resid 2 and name n )
(resid 2 and name ca) (resid 2 and name c ) $k_cdih1 -105.0 40.0 2
.
.
.
$k_cdhi1 could then be varied.
best regards--
Charles
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