[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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