[gmx-users] Water molecule starting at atom 5113 can not be settled.

Ali Alizadeh ali.alizadehmojarad at gmail.com
Tue Nov 6 20:19:40 CET 2012

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?

Ali Alizadeh

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