vidhya sankar wrote:
Dear justin Thank you for your at once reply
I have successfully
use the Distance.pl I got output. .But in Distance.pl script i have not
represented the Any Desired spacing (0.3nm) . Should i Represent? . If
i need to represent Where Should i represent in Distance .pl script file?
I'm not sure what exactly you're asking. The distance.pl script simply parses
the g_dist output files to produce a summary that you can inspect to identify
the coordinate files that can be used later for umbrella sampling. You decide
what spacing you need, and by simply reading through the summary_distances.dat
file, you identify which coordinate files to use.
-Justin
--
========================================
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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