From: Miss. State (swe31_at_msstate.edu)
Date: Thu Dec 18 2014 - 13:01:05 CST
>
> Hello All,
>
> I'm trying to perform a minimization and equilibration on a liquid mixture of propylene carbonate and ethylene carbonate. I'm trying to do this first with variable volume, fixing temperature and pressure. And, then thereafter, minimize with variable pressure, fixing temperature and volume. I tried using the Constant Pressure Control options; useGroupPressure and useFlexibleCell. When enabling both of these, the namdplot shows a constant volume and variable pressure. I don't understand what is going on here but I would expect a variable volume and constant pressure. Some help/advice on this matter would be appreciated. Attached is a print screen of the namdplot.
>
> Shalton Evans
>
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