Gavin Melaugh wrote:
Hi Justin
Yeah I know the tpr files must be in corresponding order with pullx.xvg
files. What I meant was should they be in order of distance. i.e say If
my windows go from 0 to 1.0 nm with windows every 0.1nm, could I list
the files in any order or does it have to like 0.1 0.2 0.3 0.4 ....
As long as the order (in terms of matching) is correct, you shouldn't have a
problem. You can easily test this by switching the position of just one pair of
.tpr/.xvg files and seeing if you get the same result.
-Justin
Gavin
Justin A. Lemkul wrote:
From g_wham -h:
"The tpr and pullx files must be in corresponding order, i.e. the
first tpr created the first pullx, etc."
-Justin
Gavin Melaugh wrote:
Hi
I assume that the order of the file names in the tpr-files.dat and
pullx-files.dat is irrelevant for g_wham .
Cheers
Gavin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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