P.R.Anand Narayanan wrote:
dear justin,
i recently got this error:
Norm of force = nan (not a number)
while doing a 5000 step energy minimization.
the em gets over in just 1 step and this error is shown.how do i rectify
this?
You either have severe atomic overlap or an otherwise broken structure, such
that energy minimization fails immediately.
-Justin
thank you.
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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