From: David A. Horita (dhorita_at_wfubmc.edu)
Date: Thu Jun 04 2009 - 12:53:20 CDT
Hi,
I was trying to figure out how to split an ABF run into parts using the
2.6 syntax but it looks like this is easiest in 2.7b1. However, I'm a
bit confused as to how to implement to colvar/abf component - do the abf
commands go in the colvarsconfig file or the main input file, etc. Is
there an equivalent atom-based_01.conf (deca-alanine abf tutorial) for
2.7b1 available?
from the manual, I interpret xiMin-> lowerBoundary,
xiMax->upperBoundary, dxi-> width, but I'm not sure how to assemble
everything.
Thanks,
David
-----------------------------
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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