AMBER Archive (2007)

Subject: AMBER: Average absolute value of cross velocity (Rate constant from PMF)

From: Catein Catherine (askamber23_at_hotmail.com)
Date: Fri Oct 26 2007 - 02:26:58 CDT


Dear Sir/Madam,
 
I am trying to calculate the rate constant (kTST) from the potential of mean force results. Could you please kindly teach me how to calculate the average absolute value of cross velocity?
 
Best regards,
 
Cat.
_________________________________________________________________
News, entertainment and everything you care about at Live.com. Get it now!
http://www.live.com/getstarted.aspx
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu