Greetings,

I am going to start a Forcite dynamics run and I was hoping to collect stress tensor data every 4 steps while writing trajectory data every 1000 steps. I copied the perl script of the settings from "Run" command on the GUI of "Forcite Calculation".

"""
my \\\$results = Modules->Forcite->Dynamics->Run(\\\$doc, Settings(
    '3DPeriodicElectrostaticSummationMethod' => 'PPPM', 
    CurrentForcefield => 'COMPASSII', 
    TrajectoryRestart => 'Yes', 
    Ensemble3D => 'NVT', 
    NumberOfSteps => 2500000, 
    TrajectoryFrequency => 1000, 
    InitialVelocities => 'Current', 
    WriteForces => 'Yes', 
    AssignFixedBonds => 'Yes', 
    UseMultipleTimeSteps => 'No', 
    ElectrostaticKSpaceTimeStep => 2));
my \\\$outTrajectory = \\\$results->Trajectory;
"""

Could you please redirect me to some relevant resource where I can read or suggest me how this can be achieved?

Thanking you,

Krishna