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Starting a New Simulation

 

After an application to start has been selected, and the parameters have been returned by pressing Get Parameters, a large browser will fill the form which is used to change the values for all the necessary simulation program parameters. At present, only the program NAMD   is available to be used in this capacity, so the following discussion will assume this is the program you are using.  

Each line of the browser lists a variable name, a short description, a flag indicating if the value is required or optional, and an indicator telling if the input parameter is a string, integer, or float. Additionally, the required options are shown in one color (hopefully in red, but your result may vary) while the optional ones are in another (like black). To change a line, select it and enter the new value in the text region which appears on the bottom of the form. Press Cancel to deselect the item without changing it.

When the simulation parameters browser is open but no items are selected, several options are available on the bottom of the form. Read from file allows you to set the options from a file while Write to file writes the file given the current parameter settings. Pressing Cancel returns the form to the mode which allows you to enter a new remote simulation host and a new user name.

Once all the parameters have been defined, run the simulation by pressing the Run Simulation button. You will need to go to the text window and enter the password for the remote account. This starts NAMD on the remote machine. If there are no problems, the new system will appear on the screen and be updated as each frame is computed.


next up previous contents index
Next: Once a Connection is Up: Remote Form Previous: Establishing a Connection

Justin Gullingsrud
Tue Apr 6 09:22:39 CDT 1999