AMBER Archive (2006)

Subject: AMBER: TI cal

From: Steve Seibold (seibold_at_chemistry.msu.edu)
Date: Thu Feb 23 2006 - 13:02:45 CST

Hello AMBER users

 

I am trying to perform the tutorial on TI calculations on your web
site. However, for some reason when I get to the xleap table of
selected atoms I DO NOT have any column labeled

"DELTA.charge" or "Unused". I have searched the web for information but
have not found anything. What am I missing?

 

 

Thanks

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu