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

Berk Hess gmx3 at hotmail.com
Mon Nov 17 19:46:52 CET 2008


The triclinic skew factor seems extremely small.
What are your box vectors?


Date: Mon, 17 Nov 2008 18:26:54 +0000
From: lastexile7gr at yahoo.de
To: gmx-users at gromacs.org
Subject: [gmx-users] error: triclinic skew factor - number of DD cells


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,

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