smd output (v2.6)

From: David A. Horita (dhorita_at_wfubmc.edu)
Date: Mon Oct 19 2009 - 12:04:05 CDT

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Hi,
With the Namd 2.6 version of smd, is the force in the log file averaged
or summed over SMDOutputFreq or just for that particular step? i.e., if
stepsize is 2 fs and SMDOutputFreq is 100, is the current force applied
as output to the log file applied for 2 fs or 200 fs?
 
Thanks,
Dave
 
-----------------------------
David A. Horita, Ph.D.
Department of Biochemistry
Wake Forest University School of Medicine
Winston-Salem, NC 27157-1016
Tel: 336 713-4194
Fax: 336 716-7671
email: dhorita_at_wfubmc.edu
web: http://www1.wfubmc.edu/biochem/faculty/Horita.htm
<http://www1.wfubmc.edu/biochem/faculty/Horita.htm/>
 

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