[gmx-users] A question about quenching

Kristina Woods kristina.woods at gmail.com
Sun Mar 9 06:37:15 CET 2008


I am interested in running simulations on (binary) mixtures of n-alkanes
with the hope of learning something more about phase separation in the
mixtures.  One of the things that I would like to do is to try to somewhat
mimic the experiments that we do in the lab by initially keeping the system
at a temperature above the melting point of the two different n-alkanes and
then rapidly cooling the system in a single step (quenching) to place the
system in an unstable state.  Does anyone happen to know how or if it is
possible to set up such a simulation?  Particularly the rapid cooling part?
I would be curious to hear any comments or advice for setting up and
carrying out such a simulation.

Thank you,

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