AMBER Archive (2006)

Subject: Re: AMBER: Question about Energy calculation using MM-PBSA scripts & Imaging

From: David A. Case (case_at_scripps.edu)
Date: Wed Jul 05 2006 - 12:50:52 CDT

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_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu