On 5/3/13 12:10 AM, Arunima Shilpi wrote:
Hello sir
I got the following error while running pulling
mdrun -s pull.tpr
"distance of pull group 1 is larger than the box size"
I request you to kindly guide me in overcoming the error
Since we know nothing of what you are doing or how you are doing it, there's
very little advice anyone can give. Your pull settings are inconsistent with
your configuration, or the system has blown up, causing pull_group1 to go flying
out of the box. Please provide more detail, and in particular consult
http://www.catb.org/~esr/faqs/smart-questions.html.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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