[gmx-users] Energy minimizations with gmx3.2

Ran Friedman ran at hemi.tau.ac.il
Mon May 17 20:25:22 CEST 2004


Which water model you use?
I encountered the same problem when using TIP4P.

Tanos wrote:

>    Hi folks,
>    Since I started to use gmx 3.2 my energy minimizations stopped to 
> converge to emtol. All of them have converged to the machine precision 
> !!!!!! Is that happening to someone else ??? If ss, does someone knows 
> the reason ?????
>    Thanks in advance.
>    Tanos C. C. Franca - IME
>    Rio de Janeiro - RJ
>    Brazil
>
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