[gmx-users] Steepest descent and max(|F|)

[s8026264]

Dear All

My purpose is page 33 of the manual;part 3.10.1 steepest descent.

On Sun, 31 Aug 2003 18:15:36 -0400, Marco Ceruso wrote
> Hi-
> When you are minimizing a system with multiple atoms you are 
> sometimes interested in knowing that the maximum force in your 
> system is below a certain threshold. I hope this answers your 
> question, since I am not really sure which part of the manual you 
> are referring to. Marc
> 
> -----Original Message-----
> From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]On
> Behalf Of s8026264
> Sent: Sunday, August 31, 2003 7:35 AM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Steepest descent and max(|F|)
> 
> Dear All
> 
> In the manual you use max(|Fn|),Why don't you use |Fn| ?
> 
> The notation max(|Fn|) means the largest of the absolute values of 
> the force components.
> 
> The notation |Fn| means the absolute values of the force.
> 
> Good Luck
> 
> Mojtaba Alaei
> 
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