AMBER Archive (2008)

Subject: AMBER: (no subject)

From: Syed Tarique Moin (tarisyed_at_yahoo.com)
Date: Mon Feb 04 2008 - 08:07:26 CST

Hello,
   
  we want to go simulation studies, using AMBER 9.0
of a protein having two copper ions in +2 state and
each of copper is coordinated with three histidine
residues. I am trying to simulate using the advanced
tutorial of non-standard residues which is present on
the amber website. The problem is that the either
distance between the copper increase or decreases
during minimization, either due to increased repulsion
or attraction with the histidine residues. Therefore i
want to calculate RESP charge of this coordinated
system.

   
  Regards

       
---------------------------------
Be a better friend, newshound, and know-it-all with Yahoo! Mobile. Try it now.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu