AMBER Archive (2007)

Subject: AMBER: reporting EPtot and EKtot separately for two molecules

From: Gabbar S. Daaku (gabbarsinghdaaku_at_gmail.com)
Date: Mon Feb 12 2007 - 10:15:09 CST

While running MD on a complex consisting of t1 protein and 1
carbohydrate molecule (which I believe would be same as 2 protein
chains), I was wondering if it possible to print out the potential and
kinetic energy separately for each molecule (chain)?

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