Hi all,

I was running the Tg calculation script that was posted in the discussion before. It generated many trajectory files (.xtd and xsd). The part of the script which seems to run the actual forcite looks like below:

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\$forcite->ChangeSettings([ Pressure   => \$equilibrationPressure,

      Temperature   => \$temperature,

      InitialVelocities  => "Current",

      NumberOfSteps   => \$equilibrationSteps,

                             TrajectoryFrequency  =>  \$equilibrationFrameEvery,

                             Quality  => "Coarse"

                             ]);

  eval {\$firstCycle  = \$forcite->Dynamics->Run(\$doc)};

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Here's my question.  When I run forcite dynamics or discover dynamics, I saw a density vs frame or energy vs fram plots being generated automatically. Why is this plot now generated in the above script? And how can I generate these plots during the script run?  Or can I generate this plot easily from the trajectory files?

Thank you very much,