<p>Note that if a velocity reset occurs the integrator will not conserve
energy. On steps where no velocity resets occur, this integrator is
exactly like the <a class="reference internal" href="fix_nve.html"><span class="doc">fix nve</span></a> command. Since forces are
unaltered, pressures computed by thermodynamic output will still be
very large for overlapped configurations.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">You should not use <a class="reference internal" href="fix_shake.html"><span class="doc">fix shake</span></a> in conjunction
with this fix. That is because fix shake applies contraint forces
based on the predicted postitions of atoms after the next timestep.
It has no way of knowing the timestep may change due to this fix,
which will cause the constraint forces to be invalid. A better
strategy is to turn off fix shake when performing initial dynamics
that need this fix, then turn fix shake on when doing normal dynamics
with a fixed-size timestep.</p>
</div>
<p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
<p>No information about this fix is written to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. None of the <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify</span></a> options
are relevant to this fix.</p>
<p>This fix computes a global scalar which can be accessed by various
<a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">output commands</span></a>. The scalar is the
count of how many updates of atom’s velocity/position were limited by
the maximum distance criterion. This should be roughly the number of
atoms so affected, except that updates occur at both the beginning and
end of a timestep in a velocity Verlet timestepping algorithm. This
is a cumulative quantity for the current run, but is re-initialized to
zero each time a run is performed. The scalar value calculated by
this fix is “extensive”.</p>
<p>No parameter of this fix can be used with the <em>start/stop</em> keywords of
the <a class="reference internal" href="run.html"><span class="doc">run</span></a> command. This fix is not invoked during <a class="reference internal" href="minimize.html"><span class="doc">energy minimization</span></a>.</p>
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