[gmx-users] warning message while using eneconv

sunita at chem.iitb.ac.in sunita at chem.iitb.ac.in
Fri Dec 29 11:16:44 CET 2006

> sunita at chem.iitb.ac.in wrote:
>> Dear David,
>> Thanks for your reply.
>> pls suggest how to get rid of these warning messages.
>> I do not find where is the mistake.
>> Thank you very much.
>> sunita
> could it be that you have done more than two billion time steps? in that
> case the step counter overflows and becomes negative.

Thanks a lot. It must be the reasons as you said the time steps are more
than two billions. Even for the time step of more than 0.2 billions I am
getting the same warning messages. I write energies at every 0.5 ps.

Probably thats why for smaller time steps there was no problem.
One way I can see is to make fragments less than 0.2 billion steps. But it
seems cumbersome to me for analysing many fragments of .edr files.

Is there anything wrong if I ignore the warning messages and take final
600ns concatinated file for analysis or there is other way to solve it.

Thank you very much David.

> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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