[gmx-users] version 3.3 - Range checking error

[Joanne Hanna]

I have done the gmxcheck on the energy files, the single v3.3 has reached 1ns the double crashed at 200ps. 
The logfile is very big and therefore i cannot attach it, what should i be looking for?

Joanne Hanna
Department of Chemistry
University of Warwick
Coventry
CV4 7AL

J.F.Hanna at warwick.ac.uk
>>> spoel at xray.bmc.uu.se 11/25/05 11:58 AM >>>
Joanne Hanna wrote:

>I have submitted the single tpr with mdrun_d to our queueing system but this may take some time. In the mean time the output from gmxcheck is:
>
>  
>
gmxcheck output looks good. If you already have the single/single and 
double/double runs maybe you can compare the energy files as well using 
gmxcheck.

-- 
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://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

_______________________________________________
gmx-users mailing list
gmx-users at gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.