[gmx-users] version 3.3 - Range checking error

David van der Spoel spoel at xray.bmc.uu.se
Fri Nov 25 13:02:21 CET 2005

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 

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

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