Dear Avogadro's users,
does anybody know:

1) the method (Monte Carlo,...) used for the conformational search  
procedure "systematic rotor search" and in case the related references;

2) what are the units for the energy (kcal/mol, a.u.,...) obtained by  
the conformational search method.

Thanks in advance
Best regards

     Andrea

----------------------------------------------------------------
Universita' di Catania - A.P.Se.Ma.
Servizio di Posta Elettronica



------------------------------------------------------------------------------
vRanger cuts backup time in half-while increasing security.
With the market-leading solution for virtual backup and recovery, 
you get blazing-fast, flexible, and affordable data protection.
Download your free trial now. 
http://p.sf.net/sfu/quest-d2dcopy1
_______________________________________________
Avogadro-Discuss mailing list
Avogadro-Discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-discuss

Reply via email to