[gmx-users] error: triclinic skew factor - number of DD cells

[Claus Valka]

Hello,

while I 'm executing an md run I came accross this error:
Fatal error:
The X-size of the box (22.541477) times the triclinic skew factor (0.317120) is
smaller than the number of DD cells (8) times the smallest allowed cell size (0.895000)

My system is monoclinic (sub-categorie to triclinic systems) and I get this error at random.

Should I run in less processors (less than 8) or should I add -dd option in mdrun? If that is so, which value should be ideal?

Thank you,
Nikos



      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20081117/c08f5eac/attachment.html>