From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Thu Jun 05 2008 - 17:35:17 CDT
The xst file tracks all cell dimensions over time. You could write a
short script to get the numbers out of this file and multiply them.
On Jun 5, 2008, at 3:26 PM, JARROD EDWARD CHARLES NICKEL wrote:
> In the log file output from NAMD there is a value for VOLUME which
> is the periodic cell volume, and by my understanding is calculated
> by the cellBasisVector[1 2 3].
> My question is, can one output the area for example in the x-y
> plane using the same method as the volume calculation?
> It seems possible since the program must have values for the 3
> components of the cellBasisVector in order to calculate a volume, I
> just need help on HOW to get output for the x-y area...?
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