[gmx-users] grompp and box size

Justin A. Lemkul jalemkul at vt.edu
Fri Aug 8 11:53:45 CEST 2008

prasun kumar wrote:
> hello users,
> this is the new error i am getting.Can any one help me in removing this 
> error.
> the error is as follows
> The cut-off length is longer than half the shortest box vector or longer 
> than the smallest box diagonal element. Increase the box size or 
> decrease rvdw.

Read about the "minimum image convention," and then re-think your box size (the 
one you set with editconf -d).


> i tried by decreasing the value of rvdw,but its of no use........
> what to do,please help me
> regards
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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