[gmx-users] norm of force = nan error

[Justin A. Lemkul]

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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