AMBER Archive (2005)

Subject: Re: AMBER: bond breaking/ energetic ion

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Aug 03 2005 - 12:41:36 CDT


> 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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