Dear All,
I am trying to run MD using multi chain system in implicit solvent by setting up a box using setBox command in leap, but generalized born simulations can only be run for non-periodic systems, so the chains are diffusing away from each other during the simulation run.
What options can I use to keep the chains in a box (not flying far away from each other) whose dimensions I am specifying.
Regards
priya
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Received on Wed Oct 03 2007 - 06:07:33 PDT
