[gmx-users] Steepest descent and max(|F|)
mceruso at physbio.mssm.edu
Mon Sep 1 00:16:01 CEST 2003
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.
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|)
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
The notation |Fn| means the absolute values of the force.
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