> tried to observed the interactions between accelerated Fe2+ to the
> cellulose wall by modifying the nonbonded parameter and the velocity for
> Fe2+ in file Fe.lib,
Aside from the fact that the bond can't break (the simulation
itself would break first), the velocity in the .lib file is
not actually used in building the inpcrd file (or for any other
purpose).
Bill
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Received on Wed Aug 03 2005 - 18:53:00 PDT
