smd output (v2.6)

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

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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