[gmx-users] Error in mdrun

Harshkumar Singh harshsingh2293 at gmail.com
Wed Jun 4 12:36:34 CEST 2014

I have been doing simulation of 216 SPC molecules with cubic box dimension
3 nm.I have set the cut off at 1.2 nm but I get this error during mdrun

one of the box vectors has become shorter than twice the cut-off or
box_yy-|box_zy| or box_zz has become smaller than the cut-off error

The box vector is greater than double than twice the cut-off but I don't
seem to understand the other possible errors.How can I resolve them?
Harshkumar Singh
2nd Year Integrated MSc Chemistry
IIT Bombay.

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