AMBER: Disturb you for help!

From: ë <yulaomao1983.yahoo.com.cn>
Date: Tue, 15 Jan 2008 00:16:37 +0800 (CST)

Dear anyone who may concern this letter,
   
  I came across two problems: one of the problem is that : when that I carry out md simulation, I find the the two bonds of my ligand molecular become disconnected; another problem is that when the md simulation is finished, I can get a frame with the lowest energy. Can I say this frame is the best conformation of my model, or it most like the crystal structure of the molecular?
   
  Thanks in advance!
  Best wishes
   
  Rilei Yu

       
---------------------------------
Ż䴫ףԺؿ
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jan 16 2008 - 06:07:16 PST
Custom Search