Re: [Periodic Boundary]: from charmm to namd

From: Sascha Tayefeh (sascha_at_pc.chemie.tu-darmstadt.de)
Date: Tue Nov 02 2004 - 12:46:02 CST

>As I understand it, you should be able to use a different cell
>geometry with the "wrapAll on" parameter for your purposes.

Here is on of my example configs [snip]
...
cellBasisVector1 82.0 0.0 0.0
cellBasisVector2 0.0 82.0 0.0
cellBasisVector3 0.0 0.0 93.0
cellOrigin 0.00 0.0 0.0
wrapAll on
...

As you can see, I already have used wrapAll switch on

:-(

..

-- 
 Sascha Tayefeh

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