From: Jerome Henin (jhenin_at_vitae.cmm.upenn.edu)
Date: Wed Sep 27 2006 - 19:30:44 CDT
Hi Arturas,
Well, when the doc gets as terse as this:
"A number of measure commands are included in the NAMD binary"
then the only real doc is the source code.
In that file:
http://www.ks.uiuc.edu/Research/namd/doxygen/Measure_8C-source.html
the following routines are defined: centerOfNumber, centerOfMass,
radiusOfGyration, and loadCoords.
Best,
Jerome
On Wednesday 27 September 2006 17:30, Arturas Ziemys wrote:
> Hi,
>
> Is there any more turotial/documentation/examples on the "measure" command
> in NAMD ?
>
> I want to use it to update some parameters for my system, e.g. cell
> dimensions, on the fly from restart or similar data using VMD, my scripts,
> etc.
>
> Does anymbody know something related to that ? NAMD list or documentation
> is very "thin" on this.
>
>
> With best
> Arturas Z.
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