Hi,
I am running a simple Forcite molecular dynamic simulation with Perl script in server. After the simulation, from server, I can find *.xtd, but when I copy it to the Material studio, I only get the final frame of trajectory.
How to get all frames of simulation?
my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
Quality => "Fine",
"3DPeriodicvdWSummationMethod" => "Group based",
"3DPeriodicElectrostaticSummationMethod" => "Group based",
ChargeGroupAssignmentMethod => "Divide-and-conquer",
CurrentForcefield => "COMPASSII",
Ensemble0D => "NVT",
Ensemble3D => "NPT",
Temperature => 297,
Pressure => 0.0001,
NumberOfSteps => 100000,
TrajectoryFrequency => 1000,
Thermostat => "NHL",
Barostat => "Andersen",
StressXX => -0.0001,
StressYY => -0.0001,
StressZZ => -0.0001));
my \$outTrajectory = \$results->Trajectory;
Thanks