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

Ali Alizadeh ali.alizadehmojarad at gmail.com
Tue Nov 6 20:38:07 CET 2012

Dear Justin

I got it!

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?



Ali Alizadeh

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