Re: [AMBER] Polak Ribiere

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 1 Jun 2010 10:44:33 -0700

> 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).


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Received on Tue Jun 01 2010 - 11:00:07 PDT
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