[gmx-users] Energy minimizations with gmx3.2
mvogt at es.chem.umass.edu
Mon May 17 15:05:45 CEST 2004
I had the same problem using DFLEX_SPC. Never could resolve it
along with a restart problem. Both in 3.2.1.
Consequently, I'm still using 3.1.4.
> 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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