Altering extrabonds forces during MD

From: Bryan Roessler (
Date: Tue Apr 15 2014 - 09:53:02 CDT


What would be the best way to slowly increase the constraint force on a
dihedral angle during a simulation? Is there a way to alter the extrabonds
force parameter while the simulation is running? Where would I make the
incrementing loop statement, in the namd configuration file, in the
extrabonds file, or somewhere else?

Thank you,

*Bryan Roessler | Graduate Research Assistant*
UAB | The University of Alabama at Birmingham
* <>*
Knowledge that will change your world

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