> I am a beginner and I had a certain doubt regarding minimization.
The main thing to know is that usually only a few hundred steps
of steepest descent is enough to prepare for molecular dynamics.
If lowest-energy conformation is desired, you can usually get
closer with dynamics at low temperature (e.g. 10K).
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 01 2010 - 11:00:07 PDT
