From: Joshua Adelman (jadelman_at_berkeley.edu)
Date: Fri Jul 24 2009 - 01:13:24 CDT
This question has been addressed on the list before. A simple search
of the archive will provide you an answer. See the following thread
for starters (but it is worth reading through more of them for
On Jul 23, 2009, at 10:52 PM, Aurum Bai wrote:
> Hello everyone.
> I do the namd simulation,but some parameter should be consider
> 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" ?
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