Re: [AMBER] Minimization Failure

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 16 Mar 2010 11:18:29 -0700 (PDT)

> NSTEP ENERGY RMS GMAX NAME NUMBER
> 600 -2.6334E+05 9.0868E-01 2.4943E+02 P 4615

In this case, atom 4615 (P) has the greatest force on it.

Bill

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Received on Tue Mar 16 2010 - 11:30:03 PDT
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