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biowerkzeug •where is the adiabatic translation+rotation energy scan tool
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where is the adiabatic translation+rotation energy scan tool

Posted: Fri Apr 03, 2009 11:48 am
by m.kalavera
Hello everybody,
I recognized the possibility of an adiabatic translation+rotation energy scan in hippo. This feature is announced in the wiki-hippo, but I haven't found out if its already implemented or is it an external tool ?
In both cases I would like to know where this feature is available and how to use it.
Thx for your help,
your M.Kalavera

Re: where is the adiabatic translation+rotation energy scan tool

Posted: Sun Apr 05, 2009 9:31 am
by martin
Hi,

use mode: transrot scan
you can modify the number of points to scan with: dz, dtheta, dphi

Good luck,
Martin