On 11/6/12 2:19 PM, Ali Alizadeh wrote:
Dear Justin
I added this line to my minim.mdp file and i solved the error,
define = -DFLEXIBLE
Why did this line affect to em convergence?
Do you know what this setting does?
-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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