On Wed, Jul 05, 2006, Zu Thur Yew wrote:
> Does energy evaluation require traj to be imaged?
No. Imaging is only necessary if you want to visualize the results in a
way that has the atoms all appearing to be in a single unit cell.
...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jul 09 2006 - 06:07:08 PDT
