AMBER Archive (2007)

Subject: RE: AMBER: Energy minimization problem

From: Bo Baker (Bo.Baker_at_menzies.edu.au)
Date: Thu Apr 05 2007 - 05:14:31 CDT

Dear David:
 
I fixed my input by increasing the lastrst to 5000000. It went though without complain. Thanks!
 
There must be a typing error in the (http://amber.scripps.edu/Questions/exceeding.html <http://amber.scripps.edu/Questions/exceeding.html> ).
 
Regards
 
Bo
 
 

________________________________

From: owner-amber_at_scripps.edu on behalf of David A. Case
Sent: Thu 05/04/2007 10:55 AM
To: amber_at_scripps.edu
Subject: Re: AMBER: Energy minimization problem

On Thu, Apr 05, 2007, Bo Baker wrote:
>
> I add one line into my .in file, as suggested by the Amber FAQ
> (http://amber.scripps.edu/Questions/exceeding.html).
> .
> lastist = 2500000,
  ^^^^^^^

should be lastrst, not listist.

...dac

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