How to set magnitude of cellBasisVector?

From: Aurum Bai (javacfish_at_yahoo.com.cn)
Date: Fri Jul 24 2009 - 00:52:19 CDT

Hello everyone.

I do the namd simulation,but some parameter should be consider carefully.
I want to ask question as below:

# Periodic Boundary Conditions
cellBasisVector1 42. 0. 0.
cellBasisVector2 0. 44. 0.
cellBasisVector3 0. 0 47.
cellOrigin 31. 29. 17.5

The cellOrigin is the center of box, it can be sure by the vmd "measure center $ everyone"

However, how to get the magnitude of "cellBasisVector"?
And which factors decide the dimension of the "cellBasisVector" ?

Thanks!
Aurum

      

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