From: stefhoor (fabracht1_at_gmail.com)
Date: Mon May 17 2010 - 08:30:36 CDT
I need to calculate the free energy of dimerization using ABF. The problem
is that the cluster rules here allow me only to run 24Hs maximum simulation
time. So, what I usually do is to separate my simulations into several
different subsimulations and in the and concatenate all the files I need to
analyse. Would that be possible with ABF.
I have tried doing so by writing 5 different parameters.conf files and 5
different Distance.in files (Distance.in being the files with parameters for
Each of the Distance.in files covers a part of the lower and upper distance
to monitor,i.e., the first file contains the lines
the second file
and so on and so forth.
Is that a correct approach? Or am I doing something wrong?
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