Hello,
when we apply a time-dependent distance restraint between two atoms in
an MD simulation with a priori defined start and end values, we can
generally call this targeted molecular dynamics, can't we? I want to
avoid 'steered molecular dynamics' since in literature this term seems
to implicate the evaluation of the force-time relationship via the
Jarzynski equality, which we do not do.
General advice on how to call such an MD (common MD with additional
time-dependent distance restraint between two atoms) in a manuscript
title is welcome.
Thanks,
Jan-Philip
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Received on Sat Jun 01 2013 - 07:30:02 PDT
