AMBER Archive (2006)

Subject: AMBER: dihedral calculation problem

From: Esther Brugger (esther_brugger_at_yahoo.com)
Date: Fri Dec 01 2006 - 15:39:23 CST

Dear All,
 
 I use the "dihedral" command to do the calculation. I am just wondering how to define the negtive and positive angle value in the Ptraj program. Since in my calculation, these 2 dihedral angles should be in the diferent direction, it means one prefers negtive value, the other one is opposite. But from my calculation results, it is almost the same, I mean both of them are positive. Is there someone know how to make it in a correct way? Thanks a lot!
 

Esther B.

 
---------------------------------
Access over 1 million songs - Yahoo! Music Unlimited.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu